(1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one

C23H28N2O — CID 52936805

IUPAC(1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
SMILESCCN(CC)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O/c1-5-25(6-2)22-15-9-20(10-16-22)12-18-23(26)17-11-19-7-13-21(14-8-19)24(3)4/h7-18H,5-6H2,1-4H3/b17-11+,18-12+
InChIKeyOFOBSHPHDGKDHI-JYFOCSDGSA-N
MW348.49 g/mol
LogP4.89
Rot. Bonds8

About (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one

(1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one (PubChem CID 52936805) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
PubChem CID52936805
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
SMILESCCN(CC)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O/c1-5-25(6-2)22-15-9-20(10-16-22)12-18-23(26)17-11-19-7-13-21(14-8-19)24(3)4/h7-18H,5-6H2,1-4H3/b17-11+,18-12+
InChIKeyOFOBSHPHDGKDHI-JYFOCSDGSA-N
XLogP4.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one (CID 52936805) is (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one is CCN(CC)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one?
The InChIKey is OFOBSHPHDGKDHI-JYFOCSDGSA-N. The full InChI is InChI=1S/C23H28N2O/c1-5-25(6-2)22-15-9-20(10-16-22)12-18-23(26)17-11-19-7-13-21(14-8-19)24(3)4/h7-18H,5-6H2,1-4H3/b17-11+,18-12+.
What are the key properties of (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one?
(1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one has a molecular weight of 348.49 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-[4-(diethylamino)phenyl]-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one is sourced from PubChem (CID 52936805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).