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

C25H32N2O — CID 21177863

IUPAC(1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one
SMILESCCN(CC)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C25H32N2O/c1-5-26(6-2)23-15-9-21(10-16-23)13-19-25(28)20-14-22-11-17-24(18-12-22)27(7-3)8-4/h9-20H,5-8H2,1-4H3/b19-13+,20-14+
InChIKeyZNNRTWIXUUGIFI-IWGRKNQJSA-N
MW376.54 g/mol
LogP5.67
Rot. Bonds10

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

(1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one (PubChem CID 21177863) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is (1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one
PubChem CID21177863
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name(1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one
SMILESCCN(CC)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C25H32N2O/c1-5-26(6-2)23-15-9-21(10-16-23)13-19-25(28)20-14-22-11-17-24(18-12-22)27(7-3)8-4/h9-20H,5-8H2,1-4H3/b19-13+,20-14+
InChIKeyZNNRTWIXUUGIFI-IWGRKNQJSA-N
XLogP5.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.67
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)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one (CID 21177863) is (1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one is CCN(CC)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of (1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one?
The InChIKey is ZNNRTWIXUUGIFI-IWGRKNQJSA-N. The full InChI is InChI=1S/C25H32N2O/c1-5-26(6-2)23-15-9-21(10-16-23)13-19-25(28)20-14-22-11-17-24(18-12-22)27(7-3)8-4/h9-20H,5-8H2,1-4H3/b19-13+,20-14+.
What are the key properties of (1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one?
(1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one has a molecular weight of 376.54 g/mol, XLogP of 5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one is sourced from PubChem (CID 21177863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).