N,N-dihexylbutanamide

C16H33NO — CID 533361

IUPACN,N-dihexylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCC
InChIInChI=1S/C16H33NO/c1-4-7-9-11-14-17(16(18)13-6-3)15-12-10-8-5-2/h4-15H2,1-3H3
InChIKeyJSQYTYFBRWYWQO-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.78
Rot. Bonds12

About N,N-dihexylbutanamide

N,N-dihexylbutanamide (PubChem CID 533361) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N,N-dihexylbutanamide.

Molecular Properties

Compound NameN,N-dihexylbutanamide
PubChem CID533361
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN,N-dihexylbutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCC
InChIInChI=1S/C16H33NO/c1-4-7-9-11-14-17(16(18)13-6-3)15-12-10-8-5-2/h4-15H2,1-3H3
InChIKeyJSQYTYFBRWYWQO-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
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,N-dihexylbutanamide?
The IUPAC name of N,N-dihexylbutanamide (CID 533361) is N,N-dihexylbutanamide.
What is the SMILES notation for N,N-dihexylbutanamide?
The canonical SMILES for N,N-dihexylbutanamide is CCCCCCN(CCCCCC)C(=O)CCC.
What is the InChIKey of N,N-dihexylbutanamide?
The InChIKey is JSQYTYFBRWYWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-7-9-11-14-17(16(18)13-6-3)15-12-10-8-5-2/h4-15H2,1-3H3.
What are the key properties of N,N-dihexylbutanamide?
N,N-dihexylbutanamide has a molecular weight of 255.45 g/mol, XLogP of 4.78, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylbutanamide is sourced from PubChem (CID 533361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).