3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one

C22H19NO2 — CID 799151

IUPAC3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCOc1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-25-22-10-6-5-9-20(22)23-16-15-21(24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16,23H,1H3
InChIKeyUQZYSMDKEHODRR-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.17
Rot. Bonds6

About 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one

3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 799151) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID799151
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCOc1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-25-22-10-6-5-9-20(22)23-16-15-21(24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16,23H,1H3
InChIKeyUQZYSMDKEHODRR-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.17
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

3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 758643
(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346530
3-(5-chloro-2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5146329
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 126069091
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
methyl 2-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 101360662
(E)-1-(2,4-dichlorophenyl)-3-(2-methoxyanilino)prop-2-en-1-one
CID 126182433
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
(E)-3-[4-(3-methoxyphenoxy)anilino]-1-(4-phenylphenyl)prop-2-en-1-one
CID 126092569
3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154196778
ethyl 4-[[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]amino]benzoate
CID 39388469

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one (CID 799151) is 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one is COc1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is UQZYSMDKEHODRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-22-10-6-5-9-20(22)23-16-15-21(24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16,23H,1H3.
What are the key properties of 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one?
3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 329.40 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 799151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).