2-(heptanoylamino)-5-methoxybenzoic acid

C15H21NO4 — CID 115410928

IUPAC2-(heptanoylamino)-5-methoxybenzoic acid
SMILESCCCCCCC(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C15H21NO4/c1-3-4-5-6-7-14(17)16-13-9-8-11(20-2)10-12(13)15(18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZCIWKBWFJSSFIN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.30
Rot. Bonds8

About 2-(heptanoylamino)-5-methoxybenzoic acid

2-(heptanoylamino)-5-methoxybenzoic acid (PubChem CID 115410928) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(heptanoylamino)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(heptanoylamino)-5-methoxybenzoic acid
PubChem CID115410928
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(heptanoylamino)-5-methoxybenzoic acid
SMILESCCCCCCC(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C15H21NO4/c1-3-4-5-6-7-14(17)16-13-9-8-11(20-2)10-12(13)15(18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZCIWKBWFJSSFIN-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(heptanoylamino)-5-methoxybenzoic 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

5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
5-methoxy-2-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 115411509
2-(hexacosanoylamino)benzoic acid
CID 123304158
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
5-chloro-2-[[(Z)-docos-13-enoyl]amino]benzoic acid
CID 70363049
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800

Frequently Asked Questions

What is the IUPAC name of 2-(heptanoylamino)-5-methoxybenzoic acid?
The IUPAC name of 2-(heptanoylamino)-5-methoxybenzoic acid (CID 115410928) is 2-(heptanoylamino)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(heptanoylamino)-5-methoxybenzoic acid?
The canonical SMILES for 2-(heptanoylamino)-5-methoxybenzoic acid is CCCCCCC(=O)Nc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 2-(heptanoylamino)-5-methoxybenzoic acid?
The InChIKey is ZCIWKBWFJSSFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-4-5-6-7-14(17)16-13-9-8-11(20-2)10-12(13)15(18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(heptanoylamino)-5-methoxybenzoic acid?
2-(heptanoylamino)-5-methoxybenzoic acid has a molecular weight of 279.34 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptanoylamino)-5-methoxybenzoic acid is sourced from PubChem (CID 115410928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).