4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid

C19H21NO6 — CID 45428834

IUPAC4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1cc(CC(=O)Nc2cc(C(=O)O)ccc2C)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-11-5-6-13(19(22)23)10-14(11)20-17(21)9-12-7-15(24-2)18(26-4)16(8-12)25-3/h5-8,10H,9H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyQRUQUHULWNMNOY-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.90
Rot. Bonds7

About 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid

4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid (PubChem CID 45428834) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
PubChem CID45428834
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1cc(CC(=O)Nc2cc(C(=O)O)ccc2C)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-11-5-6-13(19(22)23)10-14(11)20-17(21)9-12-7-15(24-2)18(26-4)16(8-12)25-3/h5-8,10H,9H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyQRUQUHULWNMNOY-UHFFFAOYSA-N
XLogP2.90
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic 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

N-(4,5-dimethoxy-2-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7751153
methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate
CID 2673308
2-methyl-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid
CID 119240417
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
CID 893334
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
2-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218478
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
N-(2-fluoro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26522941
3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid
CID 119214247
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid (CID 45428834) is 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid is COc1cc(CC(=O)Nc2cc(C(=O)O)ccc2C)cc(OC)c1OC.
What is the InChIKey of 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is QRUQUHULWNMNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-11-5-6-13(19(22)23)10-14(11)20-17(21)9-12-7-15(24-2)18(26-4)16(8-12)25-3/h5-8,10H,9H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid?
4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 359.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 45428834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).