3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid

C20H23NO6 — CID 108753995

IUPAC3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid
SMILESCCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1OCC
InChIInChI=1S/C20H23NO6/c1-3-5-10-27-17-9-7-13(12-18(17)26-4-2)19(23)21-15-11-14(20(24)25)6-8-16(15)22/h6-9,11-12,22H,3-5,10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyAEKREJPMUWAVSU-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.92
Rot. Bonds9

About 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid

3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid (PubChem CID 108753995) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid
PubChem CID108753995
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid
SMILESCCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1OCC
InChIInChI=1S/C20H23NO6/c1-3-5-10-27-17-9-7-13(12-18(17)26-4-2)19(23)21-15-11-14(20(24)25)6-8-16(15)22/h6-9,11-12,22H,3-5,10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyAEKREJPMUWAVSU-UHFFFAOYSA-N
XLogP3.92
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic 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-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753903
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
3-ethoxy-4-(4-methoxybutoxy)benzoic acid
CID 104647711
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
3,4-di(tridecoxy)benzoic acid
CID 66940296
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
CID 9141581
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
CID 75401141

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid (CID 108753995) is 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid is CCCCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1OCC.
What is the InChIKey of 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid?
The InChIKey is AEKREJPMUWAVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-5-10-27-17-9-7-13(12-18(17)26-4-2)19(23)21-15-11-14(20(24)25)6-8-16(15)22/h6-9,11-12,22H,3-5,10H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid?
3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid has a molecular weight of 373.41 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 108753995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).