(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide

C16H19NO3 — CID 6447111

IUPAC(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide
SMILESCCN(CC)C(=O)/C=C/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19NO3/c1-3-17(4-2)16(18)8-6-5-7-13-9-10-14-15(11-13)20-12-19-14/h5-11H,3-4,12H2,1-2H3/b7-5+,8-6+
InChIKeyHERKSPCMCQYVSE-KQQUZDAGSA-N
MW273.33 g/mol
LogP2.85
Rot. Bonds5

About (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide

(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide (PubChem CID 6447111) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide
PubChem CID6447111
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide
SMILESCCN(CC)C(=O)/C=C/C=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19NO3/c1-3-17(4-2)16(18)8-6-5-7-13-9-10-14-15(11-13)20-12-19-14/h5-11H,3-4,12H2,1-2H3/b7-5+,8-6+
InChIKeyHERKSPCMCQYVSE-KQQUZDAGSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide (CID 6447111) is (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide is CCN(CC)C(=O)/C=C/C=C/c1ccc2c(c1)OCO2.
What is the InChIKey of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide?
The InChIKey is HERKSPCMCQYVSE-KQQUZDAGSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-17(4-2)16(18)8-6-5-7-13-9-10-14-15(11-13)20-12-19-14/h5-11H,3-4,12H2,1-2H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide?
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide has a molecular weight of 273.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide is sourced from PubChem (CID 6447111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).