ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide

C13H23NO2 — CID 142386186

IUPACethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
SMILESC=C(/C=C\C(=C)OC)CCC(=O)NC.CC
InChIInChI=1S/C11H17NO2.C2H6/c1-9(5-7-10(2)14-4)6-8-11(13)12-3;1-2/h5,7H,1-2,6,8H2,3-4H3,(H,12,13);1-2H3/b7-5-;
InChIKeyBCDKQSPGHWLIHP-YJOCEBFMSA-N
MW225.33 g/mol
LogP2.81
Rot. Bonds6

About ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide

ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide (PubChem CID 142386186) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide.

Molecular Properties

Compound Nameethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
PubChem CID142386186
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide
SMILESC=C(/C=C\C(=C)OC)CCC(=O)NC.CC
InChIInChI=1S/C11H17NO2.C2H6/c1-9(5-7-10(2)14-4)6-8-11(13)12-3;1-2/h5,7H,1-2,6,8H2,3-4H3,(H,12,13);1-2H3/b7-5-;
InChIKeyBCDKQSPGHWLIHP-YJOCEBFMSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-ethoxy-7-methylidene-1,2,8,9-tetrahydroazecin-10-one
CID 89591584
N-methyl-4-prop-1-enylnona-4,6-dienamide
CID 90699990
N-methyl-2-(2H-pyran-4-yl)acetamide
CID 91223514
N-[2-[6-(2-methoxyprop-2-enylidene)-5-propylidenecyclohexa-1,3-dien-1-yl]ethyl]acetamide
CID 123210080
N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide
CID 123670587
N-methyl-4-(2-methylcyclohexa-1,5-dien-1-yl)oxybutanamide
CID 129056427
2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
CID 129195659
(4Z,6Z)-4-ethenyl-N-methylocta-4,6-dienamide
CID 130243073
ethene;(Z)-4-ethenyl-N-methylhex-4-enamide
CID 142188976
N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide
CID 142275229
ethane;(4Z)-4-ethenyl-N-methylhepta-4,6-dienamide
CID 142308703
ethane;ethene;(Z)-N-methyl-4-methylidenehept-5-enamide
CID 142368117

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The IUPAC name of ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide (CID 142386186) is ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide.
What is the SMILES notation for ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The canonical SMILES for ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide is C=C(/C=C\C(=C)OC)CCC(=O)NC.CC.
What is the InChIKey of ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
The InChIKey is BCDKQSPGHWLIHP-YJOCEBFMSA-N. The full InChI is InChI=1S/C11H17NO2.C2H6/c1-9(5-7-10(2)14-4)6-8-11(13)12-3;1-2/h5,7H,1-2,6,8H2,3-4H3,(H,12,13);1-2H3/b7-5-;.
What are the key properties of ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide?
ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide has a molecular weight of 225.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-7-methoxy-N-methyl-4-methylideneocta-5,7-dienamide is sourced from PubChem (CID 142386186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).