[4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate

C24H20N2O4 — CID 31119853

IUPAC[4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C24H20N2O4/c1-29-22-9-5-4-8-21(22)24(28)26-15-23(27)30-16-17-10-12-18(13-11-17)20-7-3-2-6-19(20)14-25/h2-13H,15-16H2,1H3,(H,26,28)
InChIKeyBTWHNWGGMUDASU-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.71
Rot. Bonds7

About [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate

[4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 31119853) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID31119853
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name[4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C24H20N2O4/c1-29-22-9-5-4-8-21(22)24(28)26-15-23(27)30-16-17-10-12-18(13-11-17)20-7-3-2-6-19(20)14-25/h2-13H,15-16H2,1H3,(H,26,28)
InChIKeyBTWHNWGGMUDASU-UHFFFAOYSA-N
XLogP3.71
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate 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

[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate
CID 31118216
[4-(2-cyanophenyl)phenyl]methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 55512405
[4-(2-cyanophenyl)phenyl]methyl 2,3,4-trimethoxybenzoate
CID 30290785
[4-(2-cyanophenyl)phenyl]methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46511422
(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2601985
(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2401956
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119
[4-(2-cyanophenyl)phenyl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 18276982
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate (CID 31119853) is [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is BTWHNWGGMUDASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-22-9-5-4-8-21(22)24(28)26-15-23(27)30-16-17-10-12-18(13-11-17)20-7-3-2-6-19(20)14-25/h2-13H,15-16H2,1H3,(H,26,28).
What are the key properties of [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate?
[4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 400.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 31119853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).