3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid

C16H23NO3 — CID 64760719

IUPAC3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC1CC(C)CCC1C
InChIInChI=1S/C16H23NO3/c1-10-4-5-11(2)13(8-10)17-14-9-12(16(18)19)6-7-15(14)20-3/h6-7,9-11,13,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyHHJSWXGLFXEBFI-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.63
Rot. Bonds4

About 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid

3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid (PubChem CID 64760719) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
PubChem CID64760719
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC1CC(C)CCC1C
InChIInChI=1S/C16H23NO3/c1-10-4-5-11(2)13(8-10)17-14-9-12(16(18)19)6-7-15(14)20-3/h6-7,9-11,13,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyHHJSWXGLFXEBFI-UHFFFAOYSA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dimethylcyclohexyl)amino]-4-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

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid (CID 64760719) is 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC1CC(C)CCC1C.
What is the InChIKey of 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid?
The InChIKey is HHJSWXGLFXEBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-4-5-11(2)13(8-10)17-14-9-12(16(18)19)6-7-15(14)20-3/h6-7,9-11,13,17H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid?
3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 64760719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).