1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid

C16H21NO4 — CID 43341477

IUPAC1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1
InChIInChI=1S/C16H21NO4/c1-11-7-9-16(10-8-11,15(19)20)17-14(18)12-3-5-13(21-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyYCLATKIHOCLRSJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds4

About 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 43341477) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID43341477
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1
InChIInChI=1S/C16H21NO4/c1-11-7-9-16(10-8-11,15(19)20)17-14(18)12-3-5-13(21-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyYCLATKIHOCLRSJ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65119825
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
1-[(2,4-dimethylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341465
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
1-[(2,3-dihydroxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 114343273
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168523
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398
4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 22111951
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
CID 61121119
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[(2-cyclopropylpyrimidine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 91647052

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 43341477) is 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1.
What is the InChIKey of 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is YCLATKIHOCLRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-7-9-16(10-8-11,15(19)20)17-14(18)12-3-5-13(21-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).