1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid

C17H23NO3 — CID 61291254

IUPAC1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2(C(=O)O)CCCC(C)C2)cc1
InChIInChI=1S/C17H23NO3/c1-3-13-6-8-14(9-7-13)15(19)18-17(16(20)21)10-4-5-12(2)11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUQDVXOBAARXSLG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.01
Rot. Bonds4

About 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61291254) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID61291254
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2(C(=O)O)CCCC(C)C2)cc1
InChIInChI=1S/C17H23NO3/c1-3-13-6-8-14(9-7-13)15(19)18-17(16(20)21)10-4-5-12(2)11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyUQDVXOBAARXSLG-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic 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

1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290910
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
N-[1-(bromomethyl)-3-methylcyclohexyl]-4-ethylbenzamide
CID 114314594
1-[(3,5-dibromobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 107971328
3-methyl-1-[(6-oxopyran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61290142
1-[(4-chloro-3-fluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 107997810
1-[(2,4-difluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290502
3-methyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752561
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-[(2-bromo-5-fluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291061
3-methyl-1-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61289960

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 61291254) is 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid is CCc1ccc(C(=O)NC2(C(=O)O)CCCC(C)C2)cc1.
What is the InChIKey of 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is UQDVXOBAARXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-13-6-8-14(9-7-13)15(19)18-17(16(20)21)10-4-5-12(2)11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylbenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61291254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).