4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C17H23NO3 — CID 63788003

IUPAC4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccccc1NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-11(2)14-5-3-4-6-15(14)18-16(19)12-7-9-13(10-8-12)17(20)21/h3-6,11-13H,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPXSPKLUNBPDVQM-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.64
Rot. Bonds4

About 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63788003) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63788003
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccccc1NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-11(2)14-5-3-4-6-15(14)18-16(19)12-7-9-13(10-8-12)17(20)21/h3-6,11-13H,7-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPXSPKLUNBPDVQM-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
1-N-(2-methoxyethyl)-4-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146508
4-(4-methylpiperidine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109146286
2-(cyclohexanecarbonylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 1287138
1-(2-methoxyethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171096968
4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109147545
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
N-[2-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507972

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63788003) is 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C)c1ccccc1NC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PXSPKLUNBPDVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)14-5-3-4-6-15(14)18-16(19)12-7-9-13(10-8-12)17(20)21/h3-6,11-13H,7-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63788003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).