2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid

C24H21NO4 — CID 70119566

IUPAC2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid
SMILESCOc1cccc(C(=O)Nc2ccc(C=Cc3ccccc3)cc2CC(=O)O)c1
InChIInChI=1S/C24H21NO4/c1-29-21-9-5-8-19(15-21)24(28)25-22-13-12-18(14-20(22)16-23(26)27)11-10-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyKGOSOKRFYHQOQB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.74
Rot. Bonds7

About 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid

2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid (PubChem CID 70119566) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid
PubChem CID70119566
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid
SMILESCOc1cccc(C(=O)Nc2ccc(C=Cc3ccccc3)cc2CC(=O)O)c1
InChIInChI=1S/C24H21NO4/c1-29-21-9-5-8-19(15-21)24(28)25-22-13-12-18(14-20(22)16-23(26)27)11-10-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyKGOSOKRFYHQOQB-UHFFFAOYSA-N
XLogP4.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic 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

3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3695224
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
3-hydroxy-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 60827348
3-methoxy-N-(4-methyl-2-phenylphenyl)benzamide
CID 110441633
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
CID 114304807
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 66912833
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
CID 174203715
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid (CID 70119566) is 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid is COc1cccc(C(=O)Nc2ccc(C=Cc3ccccc3)cc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid?
The InChIKey is KGOSOKRFYHQOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-29-21-9-5-8-19(15-21)24(28)25-22-13-12-18(14-20(22)16-23(26)27)11-10-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid?
2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid has a molecular weight of 387.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid is sourced from PubChem (CID 70119566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).