3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one

C23H21NO2 — CID 4672353

IUPAC3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(NC(=CC(=O)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO2/c1-17-8-10-18(11-9-17)22(16-23(25)19-6-4-3-5-7-19)24-20-12-14-21(26-2)15-13-20/h3-16,24H,1-2H3
InChIKeyIQNPFHVTAKKHKM-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.34
Rot. Bonds6

About 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one

3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 4672353) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
PubChem CID4672353
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
SMILESCOc1ccc(NC(=CC(=O)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO2/c1-17-8-10-18(11-9-17)22(16-23(25)19-6-4-3-5-7-19)24-20-12-14-21(26-2)15-13-20/h3-16,24H,1-2H3
InChIKeyIQNPFHVTAKKHKM-UHFFFAOYSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
CID 102577743
2-(4-methoxyanilino)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione
CID 3726588
methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate
CID 12660151
(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
CID 51356633
2-(4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 619819
3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
CID 3777683
(Z)-3-(2-bromo-4-methoxyanilino)-1,3-diphenylprop-2-en-1-one
CID 141419848
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one (CID 4672353) is 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is COc1ccc(NC(=CC(=O)c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is IQNPFHVTAKKHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-17-8-10-18(11-9-17)22(16-23(25)19-6-4-3-5-7-19)24-20-12-14-21(26-2)15-13-20/h3-16,24H,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 343.43 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 4672353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).