2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide

C15H21NO2 — CID 94266974

IUPAC2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-10(2)12-5-7-13(8-6-12)14(17)9-16-15(18)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,18)
InChIKeyXLAANILXCYTSED-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide

2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 94266974) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID94266974
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO2/c1-10(2)12-5-7-13(8-6-12)14(17)9-16-15(18)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,18)
InChIKeyXLAANILXCYTSED-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]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-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
CID 164863189
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide
CID 125485524
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
2-(butylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101344
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide
CID 94278694
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
1-(4-propan-2-ylphenyl)hexane-1,3-dione
CID 61393311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide (CID 94266974) is 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide is CC(C)C(=O)NCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is XLAANILXCYTSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)12-5-7-13(8-6-12)14(17)9-16-15(18)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,18).
What are the key properties of 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide?
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 247.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 94266974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).