2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C15H25NO3 — CID 6467794

IUPAC2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H25NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyDHWIYWUGVWUKSL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.57
Rot. Bonds4

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

2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 6467794) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID6467794
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H25NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyDHWIYWUGVWUKSL-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 6467794) is 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is DHWIYWUGVWUKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 6467794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).