N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide

C12H23NO2 — CID 126543294

IUPACN-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide
SMILESCCC(=O)NC(C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-9(14)13-10(8(2)3)11(15)12(4,5)6/h8,10H,7H2,1-6H3,(H,13,14)
InChIKeyRTKCCQVJYIDXKD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.15
Rot. Bonds4

About N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide

N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide (PubChem CID 126543294) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide
PubChem CID126543294
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide
SMILESCCC(=O)NC(C(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-9(14)13-10(8(2)3)11(15)12(4,5)6/h8,10H,7H2,1-6H3,(H,13,14)
InChIKeyRTKCCQVJYIDXKD-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methyl-2-(propanoylamino)butanamide
CID 146263980
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide
CID 159918329
2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
CID 170029722
(2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoic acid
CID 154944935
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
(2R)-2-(4,4-dimethylpentanoylamino)-3-methylbutanoic acid
CID 119368120
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320

Frequently Asked Questions

What is the IUPAC name of N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide?
The IUPAC name of N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide (CID 126543294) is N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide.
What is the SMILES notation for N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide?
The canonical SMILES for N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide is CCC(=O)NC(C(=O)C(C)(C)C)C(C)C.
What is the InChIKey of N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide?
The InChIKey is RTKCCQVJYIDXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-9(14)13-10(8(2)3)11(15)12(4,5)6/h8,10H,7H2,1-6H3,(H,13,14).
What are the key properties of N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide?
N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide has a molecular weight of 213.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide is sourced from PubChem (CID 126543294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).