N-butan-2-ylhexanamide

C10H21NO — CID 4525628

IUPACN-butan-2-ylhexanamide
SMILESCCCCCC(=O)NC(C)CC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-10(12)11-9(3)5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyQNAZDRVGIXIMPZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.48
Rot. Bonds6

About N-butan-2-ylhexanamide

N-butan-2-ylhexanamide (PubChem CID 4525628) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-butan-2-ylhexanamide.

Molecular Properties

Compound NameN-butan-2-ylhexanamide
PubChem CID4525628
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-butan-2-ylhexanamide
SMILESCCCCCC(=O)NC(C)CC
InChIInChI=1S/C10H21NO/c1-4-6-7-8-10(12)11-9(3)5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyQNAZDRVGIXIMPZ-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butan-2-ylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylhexanamide?
The IUPAC name of N-butan-2-ylhexanamide (CID 4525628) is N-butan-2-ylhexanamide.
What is the SMILES notation for N-butan-2-ylhexanamide?
The canonical SMILES for N-butan-2-ylhexanamide is CCCCCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-ylhexanamide?
The InChIKey is QNAZDRVGIXIMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-7-8-10(12)11-9(3)5-2/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-butan-2-ylhexanamide?
N-butan-2-ylhexanamide has a molecular weight of 171.28 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylhexanamide is sourced from PubChem (CID 4525628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).