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

C17H19NO3 — CID 53302835

IUPAC(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccc2c(c1)OCO2)NC1CCCC1
InChIInChI=1S/C17H19NO3/c19-17(18-14-6-2-3-7-14)8-4-1-5-13-9-10-15-16(11-13)21-12-20-15/h1,4-5,8-11,14H,2-3,6-7,12H2,(H,18,19)/b5-1+,8-4+
InChIKeyMJFAETNOKFXZAB-LZSLGQGWSA-N
MW285.34 g/mol
LogP3.04
Rot. Bonds4

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

(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide (PubChem CID 53302835) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide
PubChem CID53302835
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccc2c(c1)OCO2)NC1CCCC1
InChIInChI=1S/C17H19NO3/c19-17(18-14-6-2-3-7-14)8-4-1-5-13-9-10-15-16(11-13)21-12-20-15/h1,4-5,8-11,14H,2-3,6-7,12H2,(H,18,19)/b5-1+,8-4+
InChIKeyMJFAETNOKFXZAB-LZSLGQGWSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide (CID 53302835) is (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide is O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NC1CCCC1.
What is the InChIKey of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide?
The InChIKey is MJFAETNOKFXZAB-LZSLGQGWSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(18-14-6-2-3-7-14)8-4-1-5-13-9-10-15-16(11-13)21-12-20-15/h1,4-5,8-11,14H,2-3,6-7,12H2,(H,18,19)/b5-1+,8-4+.
What are the key properties of (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide?
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-cyclopentylpenta-2,4-dienamide has a molecular weight of 285.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 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-cyclopentylpenta-2,4-dienamide is sourced from PubChem (CID 53302835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).