N-acetyl-N-methyl-4-oxobutanamide

C7H11NO3 — CID 126595828

IUPACN-acetyl-N-methyl-4-oxobutanamide
SMILESCC(=O)N(C)C(=O)CCC=O
InChIInChI=1S/C7H11NO3/c1-6(10)8(2)7(11)4-3-5-9/h5H,3-4H2,1-2H3
InChIKeyVJZRIFOMHTXMQP-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.03
Rot. Bonds3

About N-acetyl-N-methyl-4-oxobutanamide

N-acetyl-N-methyl-4-oxobutanamide (PubChem CID 126595828) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-acetyl-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-acetyl-N-methyl-4-oxobutanamide
PubChem CID126595828
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-acetyl-N-methyl-4-oxobutanamide
SMILESCC(=O)N(C)C(=O)CCC=O
InChIInChI=1S/C7H11NO3/c1-6(10)8(2)7(11)4-3-5-9/h5H,3-4H2,1-2H3
InChIKeyVJZRIFOMHTXMQP-UHFFFAOYSA-N
XLogP-0.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-acetyl-N-methyl-4-oxobutanamide?
The IUPAC name of N-acetyl-N-methyl-4-oxobutanamide (CID 126595828) is N-acetyl-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-acetyl-N-methyl-4-oxobutanamide?
The canonical SMILES for N-acetyl-N-methyl-4-oxobutanamide is CC(=O)N(C)C(=O)CCC=O.
What is the InChIKey of N-acetyl-N-methyl-4-oxobutanamide?
The InChIKey is VJZRIFOMHTXMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(10)8(2)7(11)4-3-5-9/h5H,3-4H2,1-2H3.
What are the key properties of N-acetyl-N-methyl-4-oxobutanamide?
N-acetyl-N-methyl-4-oxobutanamide has a molecular weight of 157.17 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-methyl-4-oxobutanamide is sourced from PubChem (CID 126595828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).