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2-(p-Ethoxyphenyl)-N-vanillylacetamide - Compound Summary (CID 58582)

Depositor-Supplied Synonyms: (Total: 5)
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2-(p-Ethoxyphenyl)-N-vanillylacetamide
CID58582
LS-9517
ACETAMIDE, 2-(p-ETHOXYPHENYL)-N-VANILLYL-
101651-31-4


Properties Computed from Structure:
Molecular Weight315.36364 [g/mol]
Molecular FormulaC18H21NO4
XLogP3-AA2.6
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count6
Exact Mass315.147058
MonoIsotopic Mass315.147058
Topological Polar Surface Area67.8
Heavy Atom Count23
Formal Charge0
Complexity355
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: 2-(4-ethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
Canonical SMILES: CCOC1=CC=C(C=C1)CC(=O)NCC2=CC(=C(C=C2)O)OC
InChI: InChI=1S/C18H21NO4/c1-3-23-15-7-4-13(5-8-15)11-18(21)19-12-14-6-9-16(20)
17(10-14)22-2/h4-10,20H,3,11-12H2,1-2H3,(H,19,21)
InChIKey: QLTJZJNIERDAMF-UHFFFAOYSA-N


Compound Information:
CID 58582   
Create Date: 2005-08-08


Similar Compounds: 441 Links
Similar Conformers: 79 Links    View Conformers


Substance Information:
Substances: 5 Links

Category: [for same structure substances]
Biological Properties: 3 Links
   DiscoveryGate ( 1 )
SID 8185826 - External ID: 58582
   LeadScope ( 1 )
SID 49859490 - External ID: LS-9517
   NextBio ( 1 )
SID 50615941 - External ID: 58582

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 43116137 - External ID: 52785

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 195375 - External ID: 101651314
     

2D

3D
Compound ID58582
Molecular Weight315.36364 [g/mol]
Molecular FormulaC18H21NO4
XLogP3-AA2.6
H-Bond Donor2
H-Bond Acceptor4


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