N-hexyl-3-methylbutanamide

C11H23NO — CID 528606

IUPACN-hexyl-3-methylbutanamide
SMILESCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-12-11(13)9-10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyPZJQRNSSYCNVMU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.73
Rot. Bonds7

About N-hexyl-3-methylbutanamide

N-hexyl-3-methylbutanamide (PubChem CID 528606) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-hexyl-3-methylbutanamide.

Molecular Properties

Compound NameN-hexyl-3-methylbutanamide
PubChem CID528606
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-hexyl-3-methylbutanamide
SMILESCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-12-11(13)9-10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyPZJQRNSSYCNVMU-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methylbutanamide?
The IUPAC name of N-hexyl-3-methylbutanamide (CID 528606) is N-hexyl-3-methylbutanamide.
What is the SMILES notation for N-hexyl-3-methylbutanamide?
The canonical SMILES for N-hexyl-3-methylbutanamide is CCCCCCNC(=O)CC(C)C.
What is the InChIKey of N-hexyl-3-methylbutanamide?
The InChIKey is PZJQRNSSYCNVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-7-8-12-11(13)9-10(2)3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-hexyl-3-methylbutanamide?
N-hexyl-3-methylbutanamide has a molecular weight of 185.31 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methylbutanamide is sourced from PubChem (CID 528606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).