N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide

C12H23NO2 — CID 10375924

IUPACN-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-11(2,3)9(14)7-8-13-10(15)12(4,5)6/h7-8H2,1-6H3,(H,13,15)
InChIKeyLBUMBMBHKYSLJZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.15
Rot. Bonds3

About N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide

N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide (PubChem CID 10375924) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide
PubChem CID10375924
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-11(2,3)9(14)7-8-13-10(15)12(4,5)6/h7-8H2,1-6H3,(H,13,15)
InChIKeyLBUMBMBHKYSLJZ-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-2,2,4-trimethyl-3-oxopentanimidic acid
CID 212510
4,4-Dimethyl-1-(methylamino)pentan-3-one;hydrochloride
CID 170917838
N-Ethyl-2,2,4-trimethylvaleramide
CID 101047
N-[(2R)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785220
N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785221
N-[(2R)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979428
N-[(1R)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979432
N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 166979434
N-[(2S)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2,2-dimethylpropanamide
CID 167026074
N-(2,2,4-trimethylpentyl)propanamide
CID 71860184
N-hexyl-2,2-dimethylbutanamide
CID 4627634
2,2-dimethyl-N-pentylbutanamide
CID 4629531

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide (CID 10375924) is N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide?
The InChIKey is LBUMBMBHKYSLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)9(14)7-8-13-10(15)12(4,5)6/h7-8H2,1-6H3,(H,13,15).
What are the key properties of N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide?
N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10375924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).