4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide

C17H31NO2 — CID 103798365

IUPAC4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
SMILESO=C(CCCC1CCCCC1)NC1CCCCC1CO
InChIInChI=1S/C17H31NO2/c19-13-15-10-4-5-11-16(15)18-17(20)12-6-9-14-7-2-1-3-8-14/h14-16,19H,1-13H2,(H,18,20)
InChIKeyKIAQPSCPLLGXIS-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.40
Rot. Bonds6

About 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide

4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide (PubChem CID 103798365) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
PubChem CID103798365
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
SMILESO=C(CCCC1CCCCC1)NC1CCCCC1CO
InChIInChI=1S/C17H31NO2/c19-13-15-10-4-5-11-16(15)18-17(20)12-6-9-14-7-2-1-3-8-14/h14-16,19H,1-13H2,(H,18,20)
InChIKeyKIAQPSCPLLGXIS-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide (CID 103798365) is 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide is O=C(CCCC1CCCCC1)NC1CCCCC1CO.
What is the InChIKey of 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
The InChIKey is KIAQPSCPLLGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c19-13-15-10-4-5-11-16(15)18-17(20)12-6-9-14-7-2-1-3-8-14/h14-16,19H,1-13H2,(H,18,20).
What are the key properties of 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide?
4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide has a molecular weight of 281.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide is sourced from PubChem (CID 103798365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).