N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane

C15H33NO2 — CID 145078832

IUPACN,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane
SMILESCC.CC(C)C(C)(C)C.CNC(=O)CC(C)C=O
InChIInChI=1S/C7H16.C6H11NO2.C2H6/c1-6(2)7(3,4)5;1-5(4-8)3-6(9)7-2;1-2/h6H,1-5H3;4-5H,3H2,1-2H3,(H,7,9);1-2H3
InChIKeyBROYFYCAAGXCBA-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.67
Rot. Bonds3

About N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane

N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane (PubChem CID 145078832) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane.

Molecular Properties

Compound NameN,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane
PubChem CID145078832
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane
SMILESCC.CC(C)C(C)(C)C.CNC(=O)CC(C)C=O
InChIInChI=1S/C7H16.C6H11NO2.C2H6/c1-6(2)7(3,4)5;1-5(4-8)3-6(9)7-2;1-2/h6H,1-5H3;4-5H,3H2,1-2H3,(H,7,9);1-2H3
InChIKeyBROYFYCAAGXCBA-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-4-oxobutanamide
CID 20693315
N,N,2,3,3-pentamethyl-4-oxobutanamide
CID 59942405
N-butyl-3-methyl-4-oxobutanamide
CID 87349095
N,3-dimethyl-4-oxobutanamide
CID 87349578
N,2,2-trimethyl-4-oxobutanamide
CID 123978044
N-(3,3-dimethyl-4-oxobutyl)-2-methylpropanamide
CID 140227165
N-(3,3-dimethyl-4-oxobutyl)butanamide
CID 140574408
N-ethyl-2,2-dimethyl-4-oxobutanamide
CID 141082940
ethane;N-ethyl-2,2-dimethyl-4-oxobutanamide
CID 143012125
N-ethyl-2,2,3-trimethyl-4-oxobutanamide
CID 143012316
N,2,2,3,3-pentamethyl-4-oxobutanamide
CID 143211483
formaldehyde;N,3,3-trimethylbutanamide
CID 144125847

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane?
The IUPAC name of N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane (CID 145078832) is N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane.
What is the SMILES notation for N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane?
The canonical SMILES for N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane is CC.CC(C)C(C)(C)C.CNC(=O)CC(C)C=O.
What is the InChIKey of N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane?
The InChIKey is BROYFYCAAGXCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H11NO2.C2H6/c1-6(2)7(3,4)5;1-5(4-8)3-6(9)7-2;1-2/h6H,1-5H3;4-5H,3H2,1-2H3,(H,7,9);1-2H3.
What are the key properties of N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane?
N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane has a molecular weight of 259.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane is sourced from PubChem (CID 145078832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).