N,2,2-trimethyl-4-oxobutanamide

C7H13NO2 — CID 123978044

IUPACN,2,2-trimethyl-4-oxobutanamide
SMILESCNC(=O)C(C)(C)CC=O
InChIInChI=1S/C7H13NO2/c1-7(2,4-5-9)6(10)8-3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyOYEVDCJWFSLDPJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.35
Rot. Bonds3

About N,2,2-trimethyl-4-oxobutanamide

N,2,2-trimethyl-4-oxobutanamide (PubChem CID 123978044) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N,2,2-trimethyl-4-oxobutanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-4-oxobutanamide
PubChem CID123978044
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN,2,2-trimethyl-4-oxobutanamide
SMILESCNC(=O)C(C)(C)CC=O
InChIInChI=1S/C7H13NO2/c1-7(2,4-5-9)6(10)8-3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyOYEVDCJWFSLDPJ-UHFFFAOYSA-N
XLogP0.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
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,2,2-trimethyl-4-oxobutanamide?
The IUPAC name of N,2,2-trimethyl-4-oxobutanamide (CID 123978044) is N,2,2-trimethyl-4-oxobutanamide.
What is the SMILES notation for N,2,2-trimethyl-4-oxobutanamide?
The canonical SMILES for N,2,2-trimethyl-4-oxobutanamide is CNC(=O)C(C)(C)CC=O.
What is the InChIKey of N,2,2-trimethyl-4-oxobutanamide?
The InChIKey is OYEVDCJWFSLDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,4-5-9)6(10)8-3/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of N,2,2-trimethyl-4-oxobutanamide?
N,2,2-trimethyl-4-oxobutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-oxobutanamide is sourced from PubChem (CID 123978044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).