4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 119228986

IUPAC4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C16H21NO4/c1-10-9-13(21-2)7-8-14(10)15(18)17-12-5-3-11(4-6-12)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHTGKWZYGXBQMRU-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.38
Rot. Bonds4

About 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119228986) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119228986
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C16H21NO4/c1-10-9-13(21-2)7-8-14(10)15(18)17-12-5-3-11(4-6-12)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHTGKWZYGXBQMRU-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60810345
4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808715
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103865460
3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043634
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528170
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
4-[(5-methoxy-2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 157011651
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 119228986) is 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is COc1ccc(C(=O)NC2CCC(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HTGKWZYGXBQMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-9-13(21-2)7-8-14(10)15(18)17-12-5-3-11(4-6-12)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119228986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).