N,N,3-trimethyl-4-oxobutanamide

C7H13NO2 — CID 21339223

IUPACN,N,3-trimethyl-4-oxobutanamide
SMILESCC(C=O)CC(=O)N(C)C
InChIInChI=1S/C7H13NO2/c1-6(5-9)4-7(10)8(2)3/h5-6H,4H2,1-3H3
InChIKeyVFPGXPBCMYRQRL-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds3

About N,N,3-trimethyl-4-oxobutanamide

N,N,3-trimethyl-4-oxobutanamide (PubChem CID 21339223) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N,N,3-trimethyl-4-oxobutanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-oxobutanamide
PubChem CID21339223
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN,N,3-trimethyl-4-oxobutanamide
SMILESCC(C=O)CC(=O)N(C)C
InChIInChI=1S/C7H13NO2/c1-6(5-9)4-7(10)8(2)3/h5-6H,4H2,1-3H3
InChIKeyVFPGXPBCMYRQRL-UHFFFAOYSA-N
XLogP0.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
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,N,3-trimethyl-4-oxobutanamide?
The IUPAC name of N,N,3-trimethyl-4-oxobutanamide (CID 21339223) is N,N,3-trimethyl-4-oxobutanamide.
What is the SMILES notation for N,N,3-trimethyl-4-oxobutanamide?
The canonical SMILES for N,N,3-trimethyl-4-oxobutanamide is CC(C=O)CC(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-4-oxobutanamide?
The InChIKey is VFPGXPBCMYRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(5-9)4-7(10)8(2)3/h5-6H,4H2,1-3H3.
What are the key properties of N,N,3-trimethyl-4-oxobutanamide?
N,N,3-trimethyl-4-oxobutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-oxobutanamide is sourced from PubChem (CID 21339223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).