N-(3-oxobutan-2-yl)propanamide

C7H13NO2 — CID 22943760

IUPACN-(3-oxobutan-2-yl)propanamide
SMILESCCC(=O)NC(C)C(C)=O
InChIInChI=1S/C7H13NO2/c1-4-7(10)8-5(2)6(3)9/h5H,4H2,1-3H3,(H,8,10)
InChIKeyPRVSLCJHOATCCZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.49
Rot. Bonds3

About N-(3-oxobutan-2-yl)propanamide

N-(3-oxobutan-2-yl)propanamide (PubChem CID 22943760) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)propanamide
PubChem CID22943760
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(3-oxobutan-2-yl)propanamide
SMILESCCC(=O)NC(C)C(C)=O
InChIInChI=1S/C7H13NO2/c1-4-7(10)8-5(2)6(3)9/h5H,4H2,1-3H3,(H,8,10)
InChIKeyPRVSLCJHOATCCZ-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide
CID 155261151
methyl 4-oxo-4-(3-oxobutan-2-ylamino)butanoate
CID 167666613
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
CID 18739938
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]propanamide
CID 10464584
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307
N-(1-sulfanylethyl)propanamide
CID 22119628
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
methyl 8-oxo-8-(3-oxobutan-2-ylamino)octanoate
CID 167554716

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutan-2-yl)propanamide?
The IUPAC name of N-(3-oxobutan-2-yl)propanamide (CID 22943760) is N-(3-oxobutan-2-yl)propanamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)propanamide?
The canonical SMILES for N-(3-oxobutan-2-yl)propanamide is CCC(=O)NC(C)C(C)=O.
What is the InChIKey of N-(3-oxobutan-2-yl)propanamide?
The InChIKey is PRVSLCJHOATCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-7(10)8-5(2)6(3)9/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of N-(3-oxobutan-2-yl)propanamide?
N-(3-oxobutan-2-yl)propanamide has a molecular weight of 143.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)propanamide is sourced from PubChem (CID 22943760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).