2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide

C10H19NO2 — CID 126726603

IUPAC2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
SMILESCCC(=O)[C@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(12)7(2)11-9(13)10(3,4)5/h7H,6H2,1-5H3,(H,11,13)/t7-/m0/s1
InChIKeyHNUXJAFURFAYSI-ZETCQYMHSA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds3

About 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide

2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide (PubChem CID 126726603) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
PubChem CID126726603
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
SMILESCCC(=O)[C@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(12)7(2)11-9(13)10(3,4)5/h7H,6H2,1-5H3,(H,11,13)/t7-/m0/s1
InChIKeyHNUXJAFURFAYSI-ZETCQYMHSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(3-oxopentan-2-yl)urea
CID 64994030
N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide
CID 158191318
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768
N-(3-oxopentan-2-yl)carbamoyl chloride
CID 155280819
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
CID 170029722
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877
3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
CID 64997000
(2S)-2-(sulfanylmethylamino)pentan-3-one
CID 118548242

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide (CID 126726603) is 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide is CCC(=O)[C@H](C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide?
The InChIKey is HNUXJAFURFAYSI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(12)7(2)11-9(13)10(3,4)5/h7H,6H2,1-5H3,(H,11,13)/t7-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide?
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide is sourced from PubChem (CID 126726603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).