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

C14H25NO2 — CID 58477545

IUPACN-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide
SMILESCOC1CCC(NC(=O)C2CCCC2)CC1C
InChIInChI=1S/C14H25NO2/c1-10-9-12(7-8-13(10)17-2)15-14(16)11-5-3-4-6-11/h10-13H,3-9H2,1-2H3,(H,15,16)
InChIKeyLIYWQFKRZVWGCT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds3

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

N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide (PubChem CID 58477545) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide
PubChem CID58477545
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide
SMILESCOC1CCC(NC(=O)C2CCCC2)CC1C
InChIInChI=1S/C14H25NO2/c1-10-9-12(7-8-13(10)17-2)15-14(16)11-5-3-4-6-11/h10-13H,3-9H2,1-2H3,(H,15,16)
InChIKeyLIYWQFKRZVWGCT-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide (CID 58477545) is N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide is COC1CCC(NC(=O)C2CCCC2)CC1C.
What is the InChIKey of N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide?
The InChIKey is LIYWQFKRZVWGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-9-12(7-8-13(10)17-2)15-14(16)11-5-3-4-6-11/h10-13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide?
N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylcyclohexyl)cyclopentanecarboxamide is sourced from PubChem (CID 58477545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).