(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one

C23H21NO2 — CID 39346530

IUPAC(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO2/c1-2-26-23-11-7-6-10-21(23)24-17-16-22(25)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,24H,2H2,1H3/b17-16+
InChIKeyAYNARJXPRQWNCH-WUKNDPDISA-N
MW343.43 g/mol
LogP5.56
Rot. Bonds7

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

(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 39346530) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID39346530
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO2/c1-2-26-23-11-7-6-10-21(23)24-17-16-22(25)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,24H,2H2,1H3/b17-16+
InChIKeyAYNARJXPRQWNCH-WUKNDPDISA-N
XLogP5.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.56
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-phenylphenyl)prop-2-en-1-one
CID 799151
ethyl 4-[[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]amino]benzoate
CID 39388469
3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 758643
3-(5-chloro-2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5146329
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
(E)-1-(4-butoxyphenyl)-3-(2-methylanilino)prop-2-en-1-one
CID 51045660
N-(2-ethoxyphenyl)formamide;molecular hydrogen
CID 142473191
(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 126069091
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-(2-ethoxyphenyl)methanethioamide
CID 88853700

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one (CID 39346530) is (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one is CCOc1ccccc1N/C=C/C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is AYNARJXPRQWNCH-WUKNDPDISA-N. The full InChI is InChI=1S/C23H21NO2/c1-2-26-23-11-7-6-10-21(23)24-17-16-22(25)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,24H,2H2,1H3/b17-16+.
What are the key properties of (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one?
(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 343.43 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 39346530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).