(2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide

C15H18ClNO — CID 162662430

IUPAC(2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide
SMILESCCN(CC)C(=O)/C=C/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO/c1-3-17(4-2)15(18)8-6-5-7-13-9-11-14(16)12-10-13/h5-12H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyBLZYYNBCKDQALG-KQQUZDAGSA-N
MW263.77 g/mol
LogP3.78
Rot. Bonds5

About (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide

(2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide (PubChem CID 162662430) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide
PubChem CID162662430
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide
SMILESCCN(CC)C(=O)/C=C/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO/c1-3-17(4-2)15(18)8-6-5-7-13-9-11-14(16)12-10-13/h5-12H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyBLZYYNBCKDQALG-KQQUZDAGSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide (CID 162662430) is (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide is CCN(CC)C(=O)/C=C/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide?
The InChIKey is BLZYYNBCKDQALG-KQQUZDAGSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-17(4-2)15(18)8-6-5-7-13-9-11-14(16)12-10-13/h5-12H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide?
(2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide has a molecular weight of 263.77 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-chlorophenyl)-N,N-diethylpenta-2,4-dienamide is sourced from PubChem (CID 162662430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).