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

C23H25NO2 — CID 135034194

IUPAC(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one
SMILESC=Cc1ccc(/C(=C/C(=O)c2ccc(C(C)=O)cc2)N(CC)CC)cc1
InChIInChI=1S/C23H25NO2/c1-5-18-8-10-20(11-9-18)22(24(6-2)7-3)16-23(26)21-14-12-19(13-15-21)17(4)25/h5,8-16H,1,6-7H2,2-4H3/b22-16-
InChIKeyZSKLJCSSXFJNJS-JWGURIENSA-N
MW347.46 g/mol
LogP5.10
Rot. Bonds8

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

(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one (PubChem CID 135034194) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one
PubChem CID135034194
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one
SMILESC=Cc1ccc(/C(=C/C(=O)c2ccc(C(C)=O)cc2)N(CC)CC)cc1
InChIInChI=1S/C23H25NO2/c1-5-18-8-10-20(11-9-18)22(24(6-2)7-3)16-23(26)21-14-12-19(13-15-21)17(4)25/h5,8-16H,1,6-7H2,2-4H3/b22-16-
InChIKeyZSKLJCSSXFJNJS-JWGURIENSA-N
XLogP5.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one (CID 135034194) is (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one is C=Cc1ccc(/C(=C/C(=O)c2ccc(C(C)=O)cc2)N(CC)CC)cc1.
What is the InChIKey of (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one?
The InChIKey is ZSKLJCSSXFJNJS-JWGURIENSA-N. The full InChI is InChI=1S/C23H25NO2/c1-5-18-8-10-20(11-9-18)22(24(6-2)7-3)16-23(26)21-14-12-19(13-15-21)17(4)25/h5,8-16H,1,6-7H2,2-4H3/b22-16-.
What are the key properties of (Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one?
(Z)-1-(4-acetylphenyl)-3-(diethylamino)-3-(4-ethenylphenyl)prop-2-en-1-one has a molecular weight of 347.46 g/mol, XLogP of 5.10, 8 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-ethenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 135034194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).