4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C15H25NO3 — CID 63782948

IUPAC4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C15H25NO3/c17-14(16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyUBZXRPZXNYIALO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.57
Rot. Bonds4

About 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid

4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63782948) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63782948
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C15H25NO3/c17-14(16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyUBZXRPZXNYIALO-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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Related Compounds

4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
(1S,6R)-6-(cyclohexylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27485089
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
(1S,6S)-6-(cyclohexylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27485091

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63782948) is 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is UBZXRPZXNYIALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(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 4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).