N-butyl-4-hydroxypentanamide

C9H19NO2 — CID 79001558

IUPACN-butyl-4-hydroxypentanamide
SMILESCCCCNC(=O)CCC(C)O
InChIInChI=1S/C9H19NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyFLVHECHVWZKACW-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.06
Rot. Bonds6

About N-butyl-4-hydroxypentanamide

N-butyl-4-hydroxypentanamide (PubChem CID 79001558) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-butyl-4-hydroxypentanamide.

Molecular Properties

Compound NameN-butyl-4-hydroxypentanamide
PubChem CID79001558
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-butyl-4-hydroxypentanamide
SMILESCCCCNC(=O)CCC(C)O
InChIInChI=1S/C9H19NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyFLVHECHVWZKACW-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.06
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-hydroxypentanamide?
The IUPAC name of N-butyl-4-hydroxypentanamide (CID 79001558) is N-butyl-4-hydroxypentanamide.
What is the SMILES notation for N-butyl-4-hydroxypentanamide?
The canonical SMILES for N-butyl-4-hydroxypentanamide is CCCCNC(=O)CCC(C)O.
What is the InChIKey of N-butyl-4-hydroxypentanamide?
The InChIKey is FLVHECHVWZKACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-7-10-9(12)6-5-8(2)11/h8,11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-butyl-4-hydroxypentanamide?
N-butyl-4-hydroxypentanamide has a molecular weight of 173.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydroxypentanamide is sourced from PubChem (CID 79001558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).