N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide

C13H23NO2 — CID 58477543

IUPACN-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide
SMILESCC1CCC(NC(=O)C2CCCC2)CC1O
InChIInChI=1S/C13H23NO2/c1-9-6-7-11(8-12(9)15)14-13(16)10-4-2-3-5-10/h9-12,15H,2-8H2,1H3,(H,14,16)
InChIKeyLVCOACDLXLPFMA-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.84
Rot. Bonds2

About N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide

N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide (PubChem CID 58477543) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide
PubChem CID58477543
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide
SMILESCC1CCC(NC(=O)C2CCCC2)CC1O
InChIInChI=1S/C13H23NO2/c1-9-6-7-11(8-12(9)15)14-13(16)10-4-2-3-5-10/h9-12,15H,2-8H2,1H3,(H,14,16)
InChIKeyLVCOACDLXLPFMA-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide?
The IUPAC name of N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide (CID 58477543) is N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide is CC1CCC(NC(=O)C2CCCC2)CC1O.
What is the InChIKey of N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide?
The InChIKey is LVCOACDLXLPFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-6-7-11(8-12(9)15)14-13(16)10-4-2-3-5-10/h9-12,15H,2-8H2,1H3,(H,14,16).
What are the key properties of N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide?
N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylcyclohexyl)cyclopentanecarboxamide is sourced from PubChem (CID 58477543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).