N-butyl-4-hydroxybutanamide

C8H17NO2 — CID 13060238

IUPACN-butyl-4-hydroxybutanamide
SMILESCCCCNC(=O)CCCO
InChIInChI=1S/C8H17NO2/c1-2-3-6-9-8(11)5-4-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyPLIUEORKUINCMV-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.68
Rot. Bonds6

About N-butyl-4-hydroxybutanamide

N-butyl-4-hydroxybutanamide (PubChem CID 13060238) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-butyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-butyl-4-hydroxybutanamide
PubChem CID13060238
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-butyl-4-hydroxybutanamide
SMILESCCCCNC(=O)CCCO
InChIInChI=1S/C8H17NO2/c1-2-3-6-9-8(11)5-4-7-10/h10H,2-7H2,1H3,(H,9,11)
InChIKeyPLIUEORKUINCMV-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
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-butyl-4-hydroxybutanamide?
The IUPAC name of N-butyl-4-hydroxybutanamide (CID 13060238) is N-butyl-4-hydroxybutanamide.
What is the SMILES notation for N-butyl-4-hydroxybutanamide?
The canonical SMILES for N-butyl-4-hydroxybutanamide is CCCCNC(=O)CCCO.
What is the InChIKey of N-butyl-4-hydroxybutanamide?
The InChIKey is PLIUEORKUINCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-6-9-8(11)5-4-7-10/h10H,2-7H2,1H3,(H,9,11).
What are the key properties of N-butyl-4-hydroxybutanamide?
N-butyl-4-hydroxybutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydroxybutanamide is sourced from PubChem (CID 13060238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).