N,N-dihexyl-4-hydroxybutanamide

C16H33NO2 — CID 71407073

IUPACN,N-dihexyl-4-hydroxybutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCO
InChIInChI=1S/C16H33NO2/c1-3-5-7-9-13-17(14-10-8-6-4-2)16(19)12-11-15-18/h18H,3-15H2,1-2H3
InChIKeyGIOCSBBHUGGRAK-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.75
Rot. Bonds13

About N,N-dihexyl-4-hydroxybutanamide

N,N-dihexyl-4-hydroxybutanamide (PubChem CID 71407073) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N,N-dihexyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN,N-dihexyl-4-hydroxybutanamide
PubChem CID71407073
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN,N-dihexyl-4-hydroxybutanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCCO
InChIInChI=1S/C16H33NO2/c1-3-5-7-9-13-17(14-10-8-6-4-2)16(19)12-11-15-18/h18H,3-15H2,1-2H3
InChIKeyGIOCSBBHUGGRAK-UHFFFAOYSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dihexyl-4-hydroxybutanamide?
The IUPAC name of N,N-dihexyl-4-hydroxybutanamide (CID 71407073) is N,N-dihexyl-4-hydroxybutanamide.
What is the SMILES notation for N,N-dihexyl-4-hydroxybutanamide?
The canonical SMILES for N,N-dihexyl-4-hydroxybutanamide is CCCCCCN(CCCCCC)C(=O)CCCO.
What is the InChIKey of N,N-dihexyl-4-hydroxybutanamide?
The InChIKey is GIOCSBBHUGGRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-5-7-9-13-17(14-10-8-6-4-2)16(19)12-11-15-18/h18H,3-15H2,1-2H3.
What are the key properties of N,N-dihexyl-4-hydroxybutanamide?
N,N-dihexyl-4-hydroxybutanamide has a molecular weight of 271.44 g/mol, XLogP of 3.75, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-4-hydroxybutanamide is sourced from PubChem (CID 71407073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).