3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one

C24H25NO — CID 132593466

IUPAC3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
SMILESCc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO/c1-17-4-10-20(11-5-17)23(25-22-14-8-19(3)9-15-22)16-24(26)21-12-6-18(2)7-13-21/h4-15,23,25H,16H2,1-3H3
InChIKeyKPEAJYPKGKFVPE-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.04
Rot. Bonds6

About 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one

3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one (PubChem CID 132593466) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
PubChem CID132593466
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
SMILESCc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO/c1-17-4-10-20(11-5-17)23(25-22-14-8-19(3)9-15-22)16-24(26)21-12-6-18(2)7-13-21/h4-15,23,25H,16H2,1-3H3
InChIKeyKPEAJYPKGKFVPE-UHFFFAOYSA-N
XLogP6.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(4-methylanilino)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132591664
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one
CID 132593475
3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132593528
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
CID 132593499
3-(4-iodoanilino)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one
CID 132593543
3-(3-bromophenyl)-3-(4-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 17370256
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one (CID 132593466) is 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one is Cc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one?
The InChIKey is KPEAJYPKGKFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-17-4-10-20(11-5-17)23(25-22-14-8-19(3)9-15-22)16-24(26)21-12-6-18(2)7-13-21/h4-15,23,25H,16H2,1-3H3.
What are the key properties of 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one?
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one has a molecular weight of 343.47 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one is sourced from PubChem (CID 132593466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).