4-oxo-N-propan-2-ylbutanamide

C7H13NO2 — CID 87543114

IUPAC4-oxo-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCC=O
InChIInChI=1S/C7H13NO2/c1-6(2)8-7(10)4-3-5-9/h5-6H,3-4H2,1-2H3,(H,8,10)
InChIKeySCZKUPYRGOMZEA-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.49
Rot. Bonds4

About 4-oxo-N-propan-2-ylbutanamide

4-oxo-N-propan-2-ylbutanamide (PubChem CID 87543114) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-oxo-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-propan-2-ylbutanamide
PubChem CID87543114
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-oxo-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCC=O
InChIInChI=1S/C7H13NO2/c1-6(2)8-7(10)4-3-5-9/h5-6H,3-4H2,1-2H3,(H,8,10)
InChIKeySCZKUPYRGOMZEA-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-di(propan-2-yl)decanediamide
CID 58997511
ethane;N-propan-2-ylbutanamide
CID 169175258
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
N-propan-2-yl-3-(sulfamoylamino)propanamide
CID 115609040
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
N-methoxy-4-oxobutanamide
CID 126994320
3-(hept-6-enylamino)-N-propan-2-ylpropanamide
CID 107007090
3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide
CID 107165890
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-propan-2-ylbutanamide?
The IUPAC name of 4-oxo-N-propan-2-ylbutanamide (CID 87543114) is 4-oxo-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-propan-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-propan-2-ylbutanamide is CC(C)NC(=O)CCC=O.
What is the InChIKey of 4-oxo-N-propan-2-ylbutanamide?
The InChIKey is SCZKUPYRGOMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)8-7(10)4-3-5-9/h5-6H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 4-oxo-N-propan-2-ylbutanamide?
4-oxo-N-propan-2-ylbutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-propan-2-ylbutanamide is sourced from PubChem (CID 87543114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).