4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H21NO3 — CID 63784653

IUPAC4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)C1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-17(14-6-4-3-5-7-14)15(18)12-8-10-13(11-9-12)16(19)20/h3-7,12-13H,2,8-11H2,1H3,(H,19,20)
InChIKeyWQTWSWBVNOGUFA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.93
Rot. Bonds4

About 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63784653) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63784653
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)C1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-17(14-6-4-3-5-7-14)15(18)12-8-10-13(11-9-12)16(19)20/h3-7,12-13H,2,8-11H2,1H3,(H,19,20)
InChIKeyWQTWSWBVNOGUFA-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[ethyl(phenyl)carbamoyl]cyclohexane-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

N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109149575
3-[ethyl-(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550633
N-ethyl-1-methylsulfonyl-N-phenylpiperidine-4-carboxamide
CID 51320930
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360944
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63784653) is 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid is CCN(C(=O)C1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WQTWSWBVNOGUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-17(14-6-4-3-5-7-14)15(18)12-8-10-13(11-9-12)16(19)20/h3-7,12-13H,2,8-11H2,1H3,(H,19,20).
What are the key properties of 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).