(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one

C22H25NO2 — CID 135034190

IUPAC(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one
SMILESCCN(CC)/C(=C\C(=O)c1ccc(C(C)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H25NO2/c1-5-23(6-2)21(19-9-7-16(3)8-10-19)15-22(25)20-13-11-18(12-14-20)17(4)24/h7-15H,5-6H2,1-4H3/b21-15-
InChIKeyNJNGCAXCMQIJSJ-QNGOZBTKSA-N
MW335.45 g/mol
LogP4.76
Rot. Bonds7

About (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one

(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one (PubChem CID 135034190) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one
PubChem CID135034190
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one
SMILESCCN(CC)/C(=C\C(=O)c1ccc(C(C)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H25NO2/c1-5-23(6-2)21(19-9-7-16(3)8-10-19)15-22(25)20-13-11-18(12-14-20)17(4)24/h7-15H,5-6H2,1-4H3/b21-15-
InChIKeyNJNGCAXCMQIJSJ-QNGOZBTKSA-N
XLogP4.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one (CID 135034190) is (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one is CCN(CC)/C(=C\C(=O)c1ccc(C(C)=O)cc1)c1ccc(C)cc1.
What is the InChIKey of (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is NJNGCAXCMQIJSJ-QNGOZBTKSA-N. The full InChI is InChI=1S/C22H25NO2/c1-5-23(6-2)21(19-9-7-16(3)8-10-19)15-22(25)20-13-11-18(12-14-20)17(4)24/h7-15H,5-6H2,1-4H3/b21-15-.
What are the key properties of (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one?
(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 335.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 135034190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).