2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C17H23NO3 — CID 2966456

IUPAC2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CNC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c1-2-12-7-9-13(10-8-12)11-18-16(19)14-5-3-4-6-15(14)17(20)21/h7-10,14-15H,2-6,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyORQKMANGLIADRO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.76
Rot. Bonds5

About 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2966456) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2966456
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(CNC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c1-2-12-7-9-13(10-8-12)11-18-16(19)14-5-3-4-6-15(14)17(20)21/h7-10,14-15H,2-6,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyORQKMANGLIADRO-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 2966456) is 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CCc1ccc(CNC(=O)C2CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ORQKMANGLIADRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-12-7-9-13(10-8-12)11-18-16(19)14-5-3-4-6-15(14)17(20)21/h7-10,14-15H,2-6,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2966456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).