PubChem Substance
PubChem Compound
PubChem BioAssay
PubMed
|
Entrez
|
Structure
|
PubChem
|
Help
PubChem
» Compound Summary
N-acylethanolamines -
Compound Summary
(CID
69657
)
includes N-hexadecanoyl-, N-heptadecanoyl-, N-octadecanoyl- cpds
Table of Contents
Drug and Chemical Information
Literature Links
Literature Mining
BioActivity Results
Synonyms
Properties
Descriptors
Compound Information
Substance Information
Category
Exports
Drug and Chemical Information:
(Total:1)
N-acylethanolamines
Literature
Literature Keyword Mining Tool
BioActivity Results:
Tested in BioAssays:
All:
2
Inactive:
1
BioActivity Summary:
This Compound
with Similar Compounds
AID:
256
Source:
DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice
AID:
270
Source:
DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model Lewis Lung Carcinoma (subcutaneous) in B6D2F1 (BDF1) mice
Depositor-Supplied Synonyms:
(Total: 13)
Display:
Next 3
|
All
| Sort:
Weight
Alphabetic
N-Formylethanolamine
N-acylethanolamine
N-acylethanolamines
N-(2-Hydroxyethyl)formamide
N-2-Hydroxyethylformamide
Formamide, N-(2-hydroxyethyl)-
CHEBI:50870
NSC30134
EINECS 211-741-6
NSC 30134
Properties Computed from Structure:
Molecular Weight
89.09318 [g/mol]
Molecular Formula
C
3
H
7
NO
2
XLogP3-AA
-1.1
H-Bond Donor
2
H-Bond Acceptor
2
Rotatable Bond Count
2
Tautomer Count
2
Exact Mass
89.047678
MonoIsotopic Mass
89.047678
Topological Polar Surface Area
49.3
Heavy Atom Count
6
Formal Charge
0
Complexity
37.8
Isotope Atom Count
0
Defined Atom StereoCenter Count
0
Undefined Atom StereoCenter Count
0
Defined Bond StereoCenter Count
0
Undefined Bond StereoCenter Count
0
Covalently-Bonded Unit Count
1
Descriptors Computed from Structure:
IUPAC Name:
N-(2-hydroxyethyl)formamide
Canonical SMILES:
C(CO)NC=O
InChI:
InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)
InChIKey:
BAMUPQJDKBGDPU-UHFFFAOYSA-N
Compound Information:
CID
69657
Create Date: 2005-03-26
Similar Compounds:
3 Links
Similar Conformers:
39 Links
View Conformers
Substance Information:
Substances:
All:
10 Links
Same structure:
8 Links
Mixture:
2 Links
Category:
[for same structure substances]
Biological Properties:
3 Links
ChEBI
(
1
)
SID
56352987
- External ID:
CHEBI:50870
DiscoveryGate
(
1
)
SID
8193134
- External ID:
69657
DTP/NCI
(
1
)
SID
89473
- External ID:
30134
Physical Properties:
1 Link
NMRShiftDB
(
1
)
SID
594017
- External ID:
10024963
Substance Vendors:
2 Links
ChemSpider
(
2
)
SID
37425002
- External ID:
10698927
SID
43126114
- External ID:
62858
Theoretical Properties:
1 Link
ChemDB
(
1
)
SID
6305464
- External ID:
4974199
Toxicology:
1 Link
ChemIDplus
(
1
)
SID
211835
- External ID:
000693061
ASN1
XML
SDF
2D
3D
2D
3D
Compound ID
69657
Molecular Weight
89.09318 [g/mol]
Molecular Formula
C
3
H
7
NO
2
XLogP3-AA
-1.1
H-Bond Donor
2
H-Bond Acceptor
2
Links
NLM Toxicology Link
Chemical Structure Search
BioActivity Summary:
This Compound
with Similar Compounds
Write to Helpdesk
|
Disclaimer
|
Privacy statement
|
Accessibility