N,N-dimethyl-3-(methylamino)-4-oxobutanamide

C7H14N2O2 — CID 155015110

IUPACN,N-dimethyl-3-(methylamino)-4-oxobutanamide
SMILESCNC(C=O)CC(=O)N(C)C
InChIInChI=1S/C7H14N2O2/c1-8-6(5-10)4-7(11)9(2)3/h5-6,8H,4H2,1-3H3
InChIKeyVGGJUQOKUKBZAC-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.75
Rot. Bonds4

About N,N-dimethyl-3-(methylamino)-4-oxobutanamide

N,N-dimethyl-3-(methylamino)-4-oxobutanamide (PubChem CID 155015110) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N,N-dimethyl-3-(methylamino)-4-oxobutanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(methylamino)-4-oxobutanamide
PubChem CID155015110
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN,N-dimethyl-3-(methylamino)-4-oxobutanamide
SMILESCNC(C=O)CC(=O)N(C)C
InChIInChI=1S/C7H14N2O2/c1-8-6(5-10)4-7(11)9(2)3/h5-6,8H,4H2,1-3H3
InChIKeyVGGJUQOKUKBZAC-UHFFFAOYSA-N
XLogP-0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
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,N-dimethyl-3-(methylamino)-4-oxobutanamide?
The IUPAC name of N,N-dimethyl-3-(methylamino)-4-oxobutanamide (CID 155015110) is N,N-dimethyl-3-(methylamino)-4-oxobutanamide.
What is the SMILES notation for N,N-dimethyl-3-(methylamino)-4-oxobutanamide?
The canonical SMILES for N,N-dimethyl-3-(methylamino)-4-oxobutanamide is CNC(C=O)CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(methylamino)-4-oxobutanamide?
The InChIKey is VGGJUQOKUKBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-6(5-10)4-7(11)9(2)3/h5-6,8H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(methylamino)-4-oxobutanamide?
N,N-dimethyl-3-(methylamino)-4-oxobutanamide has a molecular weight of 158.20 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(methylamino)-4-oxobutanamide is sourced from PubChem (CID 155015110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).