(3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one

C23H23NO — CID 7034965

IUPAC(3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one
SMILESCc1cccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C23H23NO/c1-17-10-9-15-21(18(17)2)24-22(19-11-5-3-6-12-19)16-23(25)20-13-7-4-8-14-20/h3-15,22,24H,16H2,1-2H3/t22-/m0/s1
InChIKeyRXQCZGKJMJIKMA-QFIPXVFZSA-N
MW329.44 g/mol
LogP5.73
Rot. Bonds6

About (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one

(3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one (PubChem CID 7034965) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one
PubChem CID7034965
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name(3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one
SMILESCc1cccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C23H23NO/c1-17-10-9-15-21(18(17)2)24-22(19-11-5-3-6-12-19)16-23(25)20-13-7-4-8-14-20/h3-15,22,24H,16H2,1-2H3/t22-/m0/s1
InChIKeyRXQCZGKJMJIKMA-QFIPXVFZSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one
CID 3958649
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one
CID 14936528
3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 13442249
N-[3-(2-methylanilino)-3-phenylpropyl]benzamide
CID 20504938
2,2-dimethyl-N-(3-oxo-1,3-diphenylpropyl)propanamide
CID 11120437
3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 17384404
3-(4-chlorophenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592096
(3R)-3-(3-bromoanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 92512541
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one?
The IUPAC name of (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one (CID 7034965) is (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one.
What is the SMILES notation for (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one?
The canonical SMILES for (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one is Cc1cccc(N[C@@H](CC(=O)c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one?
The InChIKey is RXQCZGKJMJIKMA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO/c1-17-10-9-15-21(18(17)2)24-22(19-11-5-3-6-12-19)16-23(25)20-13-7-4-8-14-20/h3-15,22,24H,16H2,1-2H3/t22-/m0/s1.
What are the key properties of (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one?
(3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one has a molecular weight of 329.44 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one is sourced from PubChem (CID 7034965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).