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

C16H21NO3 — CID 2788087

IUPAC2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyHLLURGGEEJWDHX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.75
Rot. Bonds4

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

2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 2788087) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID2788087
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyHLLURGGEEJWDHX-UHFFFAOYSA-N
XLogP2.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 2788087) is 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid is CC(NC(=O)C1CCCCC1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is HLLURGGEEJWDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2788087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).