(2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide

C18H29NO2 — CID 10085674

IUPAC(2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide
SMILESCCC1OC1C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H29NO2/c1-4-16-17(21-16)12-10-8-6-5-7-9-11-13-18(20)19-14-15(2)3/h7-11,13,15-17H,4-6,12,14H2,1-3H3,(H,19,20)/b9-7+,10-8-,13-11+
InChIKeyOYJJUDQNCUHQRJ-LSRSPUKGSA-N
MW291.44 g/mol
LogP3.77
Rot. Bonds10

About (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide

(2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide (PubChem CID 10085674) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide
PubChem CID10085674
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide
SMILESCCC1OC1C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H29NO2/c1-4-16-17(21-16)12-10-8-6-5-7-9-11-13-18(20)19-14-15(2)3/h7-11,13,15-17H,4-6,12,14H2,1-3H3,(H,19,20)/b9-7+,10-8-,13-11+
InChIKeyOYJJUDQNCUHQRJ-LSRSPUKGSA-N
XLogP3.77
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide?
The IUPAC name of (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide (CID 10085674) is (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide?
The canonical SMILES for (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide is CCC1OC1C/C=C\CC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide?
The InChIKey is OYJJUDQNCUHQRJ-LSRSPUKGSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-16-17(21-16)12-10-8-6-5-7-9-11-13-18(20)19-14-15(2)3/h7-11,13,15-17H,4-6,12,14H2,1-3H3,(H,19,20)/b9-7+,10-8-,13-11+.
What are the key properties of (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide?
(2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide has a molecular weight of 291.44 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide is sourced from PubChem (CID 10085674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).