4-acetamido-N-butyl-5-oxooctanamide

C14H26N2O3 — CID 59091177

IUPAC4-acetamido-N-butyl-5-oxooctanamide
SMILESCCCCNC(=O)CCC(NC(C)=O)C(=O)CCC
InChIInChI=1S/C14H26N2O3/c1-4-6-10-15-14(19)9-8-12(16-11(3)17)13(18)7-5-2/h12H,4-10H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyLPCAREGPAJMGKZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.56
Rot. Bonds10

About 4-acetamido-N-butyl-5-oxooctanamide

4-acetamido-N-butyl-5-oxooctanamide (PubChem CID 59091177) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-acetamido-N-butyl-5-oxooctanamide.

Molecular Properties

Compound Name4-acetamido-N-butyl-5-oxooctanamide
PubChem CID59091177
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-acetamido-N-butyl-5-oxooctanamide
SMILESCCCCNC(=O)CCC(NC(C)=O)C(=O)CCC
InChIInChI=1S/C14H26N2O3/c1-4-6-10-15-14(19)9-8-12(16-11(3)17)13(18)7-5-2/h12H,4-10H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyLPCAREGPAJMGKZ-UHFFFAOYSA-N
XLogP1.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-acetamido-N-butyl-5-oxooctanamide?
The IUPAC name of 4-acetamido-N-butyl-5-oxooctanamide (CID 59091177) is 4-acetamido-N-butyl-5-oxooctanamide.
What is the SMILES notation for 4-acetamido-N-butyl-5-oxooctanamide?
The canonical SMILES for 4-acetamido-N-butyl-5-oxooctanamide is CCCCNC(=O)CCC(NC(C)=O)C(=O)CCC.
What is the InChIKey of 4-acetamido-N-butyl-5-oxooctanamide?
The InChIKey is LPCAREGPAJMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-6-10-15-14(19)9-8-12(16-11(3)17)13(18)7-5-2/h12H,4-10H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 4-acetamido-N-butyl-5-oxooctanamide?
4-acetamido-N-butyl-5-oxooctanamide has a molecular weight of 270.37 g/mol, XLogP of 1.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-butyl-5-oxooctanamide is sourced from PubChem (CID 59091177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).