2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid

C17H23NO3 — CID 2747924

IUPAC2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(CNC(=O)C1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17(20)21/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyINZTYXSLGLFGIE-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid

2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 2747924) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID2747924
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(CNC(=O)C1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17(20)21/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyINZTYXSLGLFGIE-UHFFFAOYSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid (CID 2747924) is 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid is CC(CNC(=O)C1CCCCC1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is INZTYXSLGLFGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17(20)21/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2747924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).