1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one

C24H25NO — CID 154717560

IUPAC1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
SMILESCC(C)c1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO/c1-18(2)19-13-15-22(16-14-19)25-23(20-9-5-3-6-10-20)17-24(26)21-11-7-4-8-12-21/h3-16,18,23,25H,17H2,1-2H3
InChIKeyXLVHNSQRNWXWAS-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.24
Rot. Bonds7

About 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one

1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one (PubChem CID 154717560) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one.

Molecular Properties

Compound Name1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
PubChem CID154717560
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
SMILESCC(C)c1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO/c1-18(2)19-13-15-22(16-14-19)25-23(20-9-5-3-6-10-20)17-24(26)21-11-7-4-8-12-21/h3-16,18,23,25H,17H2,1-2H3
InChIKeyXLVHNSQRNWXWAS-UHFFFAOYSA-N
XLogP6.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
1-(4-chlorophenyl)-3-(4-methylanilino)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132591664
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593664
1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132591671
3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593528
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
3-(4-bromophenyl)-3-(4-iodoanilino)-1-phenylpropan-1-one
CID 17384303
(3R)-3-(4-bromoanilino)-3-(4-fluorophenyl)-1-phenylpropan-1-one
CID 2222867
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one?
The IUPAC name of 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one (CID 154717560) is 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one.
What is the SMILES notation for 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one?
The canonical SMILES for 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one is CC(C)c1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one?
The InChIKey is XLVHNSQRNWXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-18(2)19-13-15-22(16-14-19)25-23(20-9-5-3-6-10-20)17-24(26)21-11-7-4-8-12-21/h3-16,18,23,25H,17H2,1-2H3.
What are the key properties of 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one?
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one has a molecular weight of 343.47 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one is sourced from PubChem (CID 154717560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).