N,N,3-trimethyl-2-oxobutanamide

C7H13NO2 — CID 12813438

IUPACN,N,3-trimethyl-2-oxobutanamide
SMILESCC(C)C(=O)C(=O)N(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)6(9)7(10)8(3)4/h5H,1-4H3
InChIKeyPNDCEKOXYZALFH-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About N,N,3-trimethyl-2-oxobutanamide

N,N,3-trimethyl-2-oxobutanamide (PubChem CID 12813438) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N,N,3-trimethyl-2-oxobutanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-2-oxobutanamide
PubChem CID12813438
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN,N,3-trimethyl-2-oxobutanamide
SMILESCC(C)C(=O)C(=O)N(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)6(9)7(10)8(3)4/h5H,1-4H3
InChIKeyPNDCEKOXYZALFH-UHFFFAOYSA-N
XLogP0.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-oxobutanamide?
The IUPAC name of N,N,3-trimethyl-2-oxobutanamide (CID 12813438) is N,N,3-trimethyl-2-oxobutanamide.
What is the SMILES notation for N,N,3-trimethyl-2-oxobutanamide?
The canonical SMILES for N,N,3-trimethyl-2-oxobutanamide is CC(C)C(=O)C(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-2-oxobutanamide?
The InChIKey is PNDCEKOXYZALFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)6(9)7(10)8(3)4/h5H,1-4H3.
What are the key properties of N,N,3-trimethyl-2-oxobutanamide?
N,N,3-trimethyl-2-oxobutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-oxobutanamide is sourced from PubChem (CID 12813438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).