N-(3-methylbutyl)cyclohexanecarboxamide

C12H23NO — CID 836493

IUPACN-(3-methylbutyl)cyclohexanecarboxamide
SMILESCC(C)CCNC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)8-9-13-12(14)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyFHGCUNYXPIYARV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.73
Rot. Bonds4

About N-(3-methylbutyl)cyclohexanecarboxamide

N-(3-methylbutyl)cyclohexanecarboxamide (PubChem CID 836493) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(3-methylbutyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)cyclohexanecarboxamide
PubChem CID836493
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3-methylbutyl)cyclohexanecarboxamide
SMILESCC(C)CCNC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)8-9-13-12(14)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyFHGCUNYXPIYARV-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-methylbutyl)cyclohexanecarboxamide (CID 836493) is N-(3-methylbutyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-methylbutyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-methylbutyl)cyclohexanecarboxamide is CC(C)CCNC(=O)C1CCCCC1.
What is the InChIKey of N-(3-methylbutyl)cyclohexanecarboxamide?
The InChIKey is FHGCUNYXPIYARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-9-13-12(14)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methylbutyl)cyclohexanecarboxamide?
N-(3-methylbutyl)cyclohexanecarboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)cyclohexanecarboxamide is sourced from PubChem (CID 836493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).