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N-acylethanolamines - Compound Summary (CID 69657)

includes N-hexadecanoyl-, N-heptadecanoyl-, N-octadecanoyl- cpds


Drug and Chemical Information: (Total:1)         


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:


Properties Computed from Structure:
Molecular Weight89.09318 [g/mol]
Molecular FormulaC3H7NO2
XLogP3-AA-1.1
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count2
Tautomer Count2
Exact Mass89.047678
MonoIsotopic Mass89.047678
Topological Polar Surface Area49.3
Heavy Atom Count6
Formal Charge0
Complexity37.8
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


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

     

2D

3D

Compound ID69657
Molecular Weight89.09318 [g/mol]
Molecular FormulaC3H7NO2
XLogP3-AA-1.1
H-Bond Donor2
H-Bond Acceptor2


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