(5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide

C13H21NO3 — CID 142025348

IUPAC(5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
SMILESC=C(/C=C\C(=C)OC)CC(OCC)C(=O)NC
InChIInChI=1S/C13H21NO3/c1-6-17-12(13(15)14-4)9-10(2)7-8-11(3)16-5/h7-8,12H,2-3,6,9H2,1,4-5H3,(H,14,15)/b8-7-
InChIKeyJBQITSNTGWVFRZ-FPLPWBNLSA-N
MW239.31 g/mol
LogP1.80
Rot. Bonds8

About (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide

(5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide (PubChem CID 142025348) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide.

Molecular Properties

Compound Name(5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
PubChem CID142025348
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
SMILESC=C(/C=C\C(=C)OC)CC(OCC)C(=O)NC
InChIInChI=1S/C13H21NO3/c1-6-17-12(13(15)14-4)9-10(2)7-8-11(3)16-5/h7-8,12H,2-3,6,9H2,1,4-5H3,(H,14,15)/b8-7-
InChIKeyJBQITSNTGWVFRZ-FPLPWBNLSA-N
XLogP1.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The IUPAC name of (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide (CID 142025348) is (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide.
What is the SMILES notation for (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The canonical SMILES for (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide is C=C(/C=C\C(=C)OC)CC(OCC)C(=O)NC.
What is the InChIKey of (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The InChIKey is JBQITSNTGWVFRZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H21NO3/c1-6-17-12(13(15)14-4)9-10(2)7-8-11(3)16-5/h7-8,12H,2-3,6,9H2,1,4-5H3,(H,14,15)/b8-7-.
What are the key properties of (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
(5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide has a molecular weight of 239.31 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-ethoxy-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide is sourced from PubChem (CID 142025348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).