2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide

C19H21NO2 — CID 139637283

IUPAC2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide
SMILESCC(=O)c1ccccc1C(C(N)=O)C(C)(C)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-13(21)15-11-7-8-12-16(15)17(18(20)22)19(2,3)14-9-5-4-6-10-14/h4-12,17H,1-3H3,(H2,20,22)
InChIKeyHGHYRGOLALCTIM-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide

2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide (PubChem CID 139637283) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide
PubChem CID139637283
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide
SMILESCC(=O)c1ccccc1C(C(N)=O)C(C)(C)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-13(21)15-11-7-8-12-16(15)17(18(20)22)19(2,3)14-9-5-4-6-10-14/h4-12,17H,1-3H3,(H2,20,22)
InChIKeyHGHYRGOLALCTIM-UHFFFAOYSA-N
XLogP3.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-diphenylethyl)propanediamide
CID 175584560
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
2-(aminomethyl)-3-methyl-3-phenylbutanamide
CID 139627038
3-(2-acetylphenyl)butan-2-one
CID 171562891
dimethyl 2-(2-acetylphenyl)propanedioate
CID 102293568
1-[2-(1-methoxyethyl)phenyl]ethanone
CID 86011616
ethyl (2S)-2-(4-bromophenyl)-3-methyl-3-phenylbutanoate
CID 102106663
1-(2-acetylphenyl)ethanone;methane
CID 158210616
(1-hydroxy-2-methyl-2-phenylpropyl) acetate
CID 22355072
1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone
CID 89057752
2-hydroxy-2-phenyl-2-(2-propan-2-ylphenyl)acetamide
CID 156632345
1-[2-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]ethanone
CID 171874044

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide?
The IUPAC name of 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide (CID 139637283) is 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide.
What is the SMILES notation for 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide?
The canonical SMILES for 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide is CC(=O)c1ccccc1C(C(N)=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide?
The InChIKey is HGHYRGOLALCTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(21)15-11-7-8-12-16(15)17(18(20)22)19(2,3)14-9-5-4-6-10-14/h4-12,17H,1-3H3,(H2,20,22).
What are the key properties of 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide?
2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide has a molecular weight of 295.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 139637283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).