3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid

C16H23NO3 — CID 63743628

IUPAC3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC1C(C)CCCC1C
InChIInChI=1S/C16H23NO3/c1-10-5-4-6-11(2)15(10)17-13-9-12(16(18)19)7-8-14(13)20-3/h7-11,15,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyGSUISCUNOGAARF-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.63
Rot. Bonds4

About 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid

3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid (PubChem CID 63743628) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
PubChem CID63743628
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC1C(C)CCCC1C
InChIInChI=1S/C16H23NO3/c1-10-5-4-6-11(2)15(10)17-13-9-12(16(18)19)7-8-14(13)20-3/h7-11,15,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyGSUISCUNOGAARF-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

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Related Compounds

3-[(2,6-dimethylcyclohexyl)amino]-4-methylbenzoic acid
CID 43727451
3-[(3,4-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64746815
3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64760719
4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
CID 43743918
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid
CID 63742450
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
CID 43712363
3-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 64568363
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid (CID 63743628) is 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC1C(C)CCCC1C.
What is the InChIKey of 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid?
The InChIKey is GSUISCUNOGAARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-5-4-6-11(2)15(10)17-13-9-12(16(18)19)7-8-14(13)20-3/h7-11,15,17H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid?
3-[(2,6-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-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 63743628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).