3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one

C25H25NO2 — CID 19049443

IUPAC3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
SMILESCN(C)C(C)(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-25(26(2)3,24(28)22-12-8-5-9-13-22)18-19-14-16-21(17-15-19)23(27)20-10-6-4-7-11-20/h4-17H,18H2,1-3H3
InChIKeyGPRCXDRZKBBUNW-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.66
Rot. Bonds7

About 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one

3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one (PubChem CID 19049443) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
PubChem CID19049443
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
SMILESCN(C)C(C)(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-25(26(2)3,24(28)22-12-8-5-9-13-22)18-19-14-16-21(17-15-19)23(27)20-10-6-4-7-11-20/h4-17H,18H2,1-3H3
InChIKeyGPRCXDRZKBBUNW-UHFFFAOYSA-N
XLogP4.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one
CID 146767273
(2S)-3-(4-benzoylphenyl)-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 90761368
3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 19049591
2-(dimethylamino)-2-methyl-3-(4-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-one
CID 19049409
2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 79057003
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
2,2-dimethylpropane;diphenylmethanone
CID 159191976
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417
3-(4-tert-butylphenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 84747346
2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 18459418
azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide
CID 174880541

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one (CID 19049443) is 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one is CN(C)C(C)(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)c1ccccc1.
What is the InChIKey of 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one?
The InChIKey is GPRCXDRZKBBUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-25(26(2)3,24(28)22-12-8-5-9-13-22)18-19-14-16-21(17-15-19)23(27)20-10-6-4-7-11-20/h4-17H,18H2,1-3H3.
What are the key properties of 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one?
3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one has a molecular weight of 371.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 19049443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).