3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid

C26H27NO5 — CID 3381820

IUPAC3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C26H27NO5/c1-3-32-22-15-14-20(16-23(22)31-2)21(17-24(28)29)27-26(30)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,21,25H,3,17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySOLHNVOLXPNRDC-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.56
Rot. Bonds10

About 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid

3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid (PubChem CID 3381820) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
PubChem CID3381820
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(CC(=O)O)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C26H27NO5/c1-3-32-22-15-14-20(16-23(22)31-2)21(17-24(28)29)27-26(30)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,21,25H,3,17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySOLHNVOLXPNRDC-UHFFFAOYSA-N
XLogP4.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Moexipril
CID 91270
KH064
CID 446400
Capsinolol
CID 9887704
Moexiprilat
CID 55331
(2R,4S,5S,7S)-5-amino-7-{[3-(benzyloxy)-4-methoxyphenyl]methyl}-N-butyl-4-hydroxy-2,8-dimethylnonanamide
CID 10458588
Lfa-878
CID 449170
3-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,8-dimethylnonanamido]propanoic acid
CID 10323571
Aliskiren Acid Impurity
CID 23625650
ethyl 3-[(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,8-dimethylnonanamido]propanoate
CID 23626415
3-[4-(3,5-Dimethylphenoxy)-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
CID 10028427
3-[2-({[1-(3,4-Dimethoxyphenyl)-3-methylbutyl]amino}-carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
CID 23016858
3-[2-({[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-methylbutyl]amino}carbonyl)-4-(phenoxymethyl)phenyl]propanoic acid
CID 23017116

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid (CID 3381820) is 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid is CCOc1ccc(C(CC(=O)O)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The InChIKey is SOLHNVOLXPNRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-3-32-22-15-14-20(16-23(22)31-2)21(17-24(28)29)27-26(30)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,21,25H,3,17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid has a molecular weight of 433.50 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diphenylacetyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 3381820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).