2-methyl-4-oxo-N-(2-oxoethyl)butanamide

C7H11NO3 — CID 138599204

IUPAC2-methyl-4-oxo-N-(2-oxoethyl)butanamide
SMILESCC(CC=O)C(=O)NCC=O
InChIInChI=1S/C7H11NO3/c1-6(2-4-9)7(11)8-3-5-10/h4-6H,2-3H2,1H3,(H,8,11)
InChIKeyGXWANEKEVSOCNK-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.47
Rot. Bonds5

About 2-methyl-4-oxo-N-(2-oxoethyl)butanamide

2-methyl-4-oxo-N-(2-oxoethyl)butanamide (PubChem CID 138599204) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-methyl-4-oxo-N-(2-oxoethyl)butanamide.

Molecular Properties

Compound Name2-methyl-4-oxo-N-(2-oxoethyl)butanamide
PubChem CID138599204
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-methyl-4-oxo-N-(2-oxoethyl)butanamide
SMILESCC(CC=O)C(=O)NCC=O
InChIInChI=1S/C7H11NO3/c1-6(2-4-9)7(11)8-3-5-10/h4-6H,2-3H2,1H3,(H,8,11)
InChIKeyGXWANEKEVSOCNK-UHFFFAOYSA-N
XLogP-0.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(2-oxoethyl)propanamide
CID 21254696
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806
(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
CID 91405753
2-methyl-N-prop-2-enylbutanamide
CID 20811204
4-oxo-2-(propan-2-ylamino)butanoic acid
CID 142578702
1-(2-methylpropyl)-3-(2-oxoethyl)urea
CID 117235660
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide
CID 169244537
4-amino-N-(2-oxoethyl)pentanamide
CID 143686044
2-(methylamino)-4-oxobutanamide
CID 130181448
6-(methylamino)-2-(2-methylhydrazinyl)-N-(2-oxoethyl)hexanamide
CID 166964502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-N-(2-oxoethyl)butanamide?
The IUPAC name of 2-methyl-4-oxo-N-(2-oxoethyl)butanamide (CID 138599204) is 2-methyl-4-oxo-N-(2-oxoethyl)butanamide.
What is the SMILES notation for 2-methyl-4-oxo-N-(2-oxoethyl)butanamide?
The canonical SMILES for 2-methyl-4-oxo-N-(2-oxoethyl)butanamide is CC(CC=O)C(=O)NCC=O.
What is the InChIKey of 2-methyl-4-oxo-N-(2-oxoethyl)butanamide?
The InChIKey is GXWANEKEVSOCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(2-4-9)7(11)8-3-5-10/h4-6H,2-3H2,1H3,(H,8,11).
What are the key properties of 2-methyl-4-oxo-N-(2-oxoethyl)butanamide?
2-methyl-4-oxo-N-(2-oxoethyl)butanamide has a molecular weight of 157.17 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-N-(2-oxoethyl)butanamide is sourced from PubChem (CID 138599204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).