3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one

C27H31NO — CID 132593528

IUPAC3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCCc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C27H31NO/c1-5-21-8-16-25(17-9-21)28-26(23-14-12-22(13-15-23)19(2)3)18-27(29)24-10-6-20(4)7-11-24/h6-17,19,26,28H,5,18H2,1-4H3
InChIKeyMJHAHPRPYGCMDG-UHFFFAOYSA-N
MW385.55 g/mol
LogP7.11
Rot. Bonds8

About 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one

3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 132593528) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
PubChem CID132593528
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCCc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C27H31NO/c1-5-21-8-16-25(17-9-21)28-26(23-14-12-22(13-15-23)19(2)3)18-27(29)24-10-6-20(4)7-11-24/h6-17,19,26,28H,5,18H2,1-4H3
InChIKeyMJHAHPRPYGCMDG-UHFFFAOYSA-N
XLogP7.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 57.11
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-bis(4-methylphenyl)propan-1-one
CID 132593466
3-(4-ethylanilino)-1-(4-ethylphenyl)-3-(4-iodophenyl)propan-1-one
CID 4010443
3-(4-butylanilino)-3-(4-chlorophenyl)-1-(4-methylphenyl)propan-1-one
CID 17384326
3-(4-tert-butylphenyl)-3-(4-chloroanilino)-1-(4-ethylphenyl)propan-1-one
CID 17138848
methyl 4-[(1R)-1-(4-butylanilino)-3-(4-methylphenyl)-3-oxopropyl]benzoate
CID 7033990
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one
CID 132593475
1-(4-tert-butylphenyl)-3-(4-ethylanilino)-3-(4-fluorophenyl)propan-1-one
CID 5303831
3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 584014
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132591671

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one (CID 132593528) is 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one is CCc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is MJHAHPRPYGCMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-5-21-8-16-25(17-9-21)28-26(23-14-12-22(13-15-23)19(2)3)18-27(29)24-10-6-20(4)7-11-24/h6-17,19,26,28H,5,18H2,1-4H3.
What are the key properties of 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one?
3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 385.55 g/mol, XLogP of 7.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 132593528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).