N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide

C15H21NO2 — CID 58403911

IUPACN-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide
SMILESCCN(C(C)=O)C(C(=O)C(C)C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-5-16(12(4)17)14(15(18)11(2)3)13-9-7-6-8-10-13/h6-11,14H,5H2,1-4H3
InChIKeyAJQOFCVICKEZCN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds5

About N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide

N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide (PubChem CID 58403911) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide
PubChem CID58403911
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide
SMILESCCN(C(C)=O)C(C(=O)C(C)C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-5-16(12(4)17)14(15(18)11(2)3)13-9-7-6-8-10-13/h6-11,14H,5H2,1-4H3
InChIKeyAJQOFCVICKEZCN-UHFFFAOYSA-N
XLogP2.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide 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

2-[acetyl(benzhydryl)amino]-N,N-dimethylacetamide
CID 122392355
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
CID 119359290
2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
CID 63702725
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid
CID 63701942
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
CID 110406838
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
N-[[fluoro(dimethyl)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101234105
2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
CID 63702733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide?
The IUPAC name of N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide (CID 58403911) is N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide?
The canonical SMILES for N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide is CCN(C(C)=O)C(C(=O)C(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide?
The InChIKey is AJQOFCVICKEZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-16(12(4)17)14(15(18)11(2)3)13-9-7-6-8-10-13/h6-11,14H,5H2,1-4H3.
What are the key properties of N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide?
N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide is sourced from PubChem (CID 58403911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).