(2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide

C17H24N2O2 — CID 174295946

IUPAC(2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide
SMILESC=C(/C=C\C(=C/CC)\C(=C\C=C(/C)C(N)=O)CC)C(N)=O
InChIInChI=1S/C17H24N2O2/c1-5-7-15(11-9-13(4)17(19)21)14(6-2)10-8-12(3)16(18)20/h7-11H,4-6H2,1-3H3,(H2,18,20)(H2,19,21)/b11-9-,12-8+,14-10+,15-7+
InChIKeyWVSRUTDKIJHULL-RANCXDPVSA-N
MW288.39 g/mol
LogP2.69
Rot. Bonds8

About (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide

(2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide (PubChem CID 174295946) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide.

Molecular Properties

Compound Name(2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide
PubChem CID174295946
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide
SMILESC=C(/C=C\C(=C/CC)\C(=C\C=C(/C)C(N)=O)CC)C(N)=O
InChIInChI=1S/C17H24N2O2/c1-5-7-15(11-9-13(4)17(19)21)14(6-2)10-8-12(3)16(18)20/h7-11H,4-6H2,1-3H3,(H2,18,20)(H2,19,21)/b11-9-,12-8+,14-10+,15-7+
InChIKeyWVSRUTDKIJHULL-RANCXDPVSA-N
XLogP2.69
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide with MolForge

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Related Compounds

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2,4-dimethylhepta-2,4-dienamide
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(2E,4Z)-2-methylhepta-2,4-dienamide
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(E)-3-[(Z)-3-bromoprop-1-enyl]hex-3-en-2-one;ethene
CID 144806121
(3Z,5Z)-4-methyl-2-methylideneocta-3,5-dienamide
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(3E)-2-methylhexa-1,3-dien-3-amine
CID 130242711

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide?
The IUPAC name of (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide (CID 174295946) is (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide.
What is the SMILES notation for (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide?
The canonical SMILES for (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide is C=C(/C=C\C(=C/CC)\C(=C\C=C(/C)C(N)=O)CC)C(N)=O.
What is the InChIKey of (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide?
The InChIKey is WVSRUTDKIJHULL-RANCXDPVSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-7-15(11-9-13(4)17(19)21)14(6-2)10-8-12(3)16(18)20/h7-11H,4-6H2,1-3H3,(H2,18,20)(H2,19,21)/b11-9-,12-8+,14-10+,15-7+.
What are the key properties of (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide?
(2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide has a molecular weight of 288.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,7Z)-5-ethyl-2-methyl-9-methylidene-6-propylidenedeca-2,4,7-trienediamide is sourced from PubChem (CID 174295946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).