2-methyl-N-(3-oxopentan-2-yl)propanamide

C9H17NO2 — CID 64991731

IUPAC2-methyl-N-(3-oxopentan-2-yl)propanamide
SMILESCCC(=O)C(C)NC(=O)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(11)7(4)10-9(12)6(2)3/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyFXIXRPKCJOKIBU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds4

About 2-methyl-N-(3-oxopentan-2-yl)propanamide

2-methyl-N-(3-oxopentan-2-yl)propanamide (PubChem CID 64991731) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-N-(3-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxopentan-2-yl)propanamide
PubChem CID64991731
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-N-(3-oxopentan-2-yl)propanamide
SMILESCCC(=O)C(C)NC(=O)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(11)7(4)10-9(12)6(2)3/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyFXIXRPKCJOKIBU-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-oxopentan-2-yl)carbamoyl chloride
CID 155280819
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-2-methylpropanamide
CID 159866906
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
2-methyl-N-propanoylpropanamide
CID 13378668
(2R)-2-(propan-2-ylamino)pentan-3-one
CID 89390252
1-tert-butyl-3-(3-oxopentan-2-yl)urea
CID 64994030
3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
CID 64997000
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide
CID 167135190
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxopentan-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-oxopentan-2-yl)propanamide (CID 64991731) is 2-methyl-N-(3-oxopentan-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-oxopentan-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-oxopentan-2-yl)propanamide is CCC(=O)C(C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(3-oxopentan-2-yl)propanamide?
The InChIKey is FXIXRPKCJOKIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-8(11)7(4)10-9(12)6(2)3/h6-7H,5H2,1-4H3,(H,10,12).
What are the key properties of 2-methyl-N-(3-oxopentan-2-yl)propanamide?
2-methyl-N-(3-oxopentan-2-yl)propanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxopentan-2-yl)propanamide is sourced from PubChem (CID 64991731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).