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

C20H23NO — CID 5337879

IUPAC(Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
SMILESCCN(CC)/C(=C\C(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO/c1-4-21(5-2)19(17-9-7-6-8-10-17)15-20(22)18-13-11-16(3)12-14-18/h6-15H,4-5H2,1-3H3/b19-15-
InChIKeyIGOXBCRNDXAXAQ-CYVLTUHYSA-N
MW293.41 g/mol
LogP4.56
Rot. Bonds6

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

(Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one (PubChem CID 5337879) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
PubChem CID5337879
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
SMILESCCN(CC)/C(=C\C(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H23NO/c1-4-21(5-2)19(17-9-7-6-8-10-17)15-20(22)18-13-11-16(3)12-14-18/h6-15H,4-5H2,1-3H3/b19-15-
InChIKeyIGOXBCRNDXAXAQ-CYVLTUHYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one (CID 5337879) is (Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one is CCN(CC)/C(=C\C(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is IGOXBCRNDXAXAQ-CYVLTUHYSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-21(5-2)19(17-9-7-6-8-10-17)15-20(22)18-13-11-16(3)12-14-18/h6-15H,4-5H2,1-3H3/b19-15-.
What are the key properties of (Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one?
(Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(diethylamino)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5337879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).