2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid

C15H19NO3 — CID 2841812

IUPAC2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1ccccc1
InChIInChI=1S/C15H19NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,17)(H,18,19)
InChIKeyNCAZRKFIGJVHLN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds4

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

2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 2841812) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID2841812
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1ccccc1
InChIInChI=1S/C15H19NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,17)(H,18,19)
InChIKeyNCAZRKFIGJVHLN-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid (CID 2841812) is 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCc1ccccc1.
What is the InChIKey of 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is NCAZRKFIGJVHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2841812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).