N-butyl-N-(2-oxoethyl)acetamide

C8H15NO2 — CID 54034467

IUPACN-butyl-N-(2-oxoethyl)acetamide
SMILESCCCCN(CC=O)C(C)=O
InChIInChI=1S/C8H15NO2/c1-3-4-5-9(6-7-10)8(2)11/h7H,3-6H2,1-2H3
InChIKeyLHXSXJAINDRIKF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.83
Rot. Bonds5

About N-butyl-N-(2-oxoethyl)acetamide

N-butyl-N-(2-oxoethyl)acetamide (PubChem CID 54034467) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-butyl-N-(2-oxoethyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(2-oxoethyl)acetamide
PubChem CID54034467
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-butyl-N-(2-oxoethyl)acetamide
SMILESCCCCN(CC=O)C(C)=O
InChIInChI=1S/C8H15NO2/c1-3-4-5-9(6-7-10)8(2)11/h7H,3-6H2,1-2H3
InChIKeyLHXSXJAINDRIKF-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-oxoethyl)acetamide?
The IUPAC name of N-butyl-N-(2-oxoethyl)acetamide (CID 54034467) is N-butyl-N-(2-oxoethyl)acetamide.
What is the SMILES notation for N-butyl-N-(2-oxoethyl)acetamide?
The canonical SMILES for N-butyl-N-(2-oxoethyl)acetamide is CCCCN(CC=O)C(C)=O.
What is the InChIKey of N-butyl-N-(2-oxoethyl)acetamide?
The InChIKey is LHXSXJAINDRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-9(6-7-10)8(2)11/h7H,3-6H2,1-2H3.
What are the key properties of N-butyl-N-(2-oxoethyl)acetamide?
N-butyl-N-(2-oxoethyl)acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-oxoethyl)acetamide is sourced from PubChem (CID 54034467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).