N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide

C22H29NO2 — CID 134238679

IUPACN-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide
SMILESC=C/C=C(C(=O)/C=C/C(C=C)=C/CCC=C)\C(=C/C)CCNC(C)=O
InChIInChI=1S/C22H29NO2/c1-6-10-11-13-19(8-3)14-15-22(25)21(12-7-2)20(9-4)16-17-23-18(5)24/h6-9,12-15H,1-3,10-11,16-17H2,4-5H3,(H,23,24)/b15-14+,19-13+,20-9-,21-12+
InChIKeyGWQHLCKSPOLTOX-XWWNOTNUSA-N
MW339.48 g/mol
LogP4.78
Rot. Bonds12

About N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide

N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide (PubChem CID 134238679) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide.

Molecular Properties

Compound NameN-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide
PubChem CID134238679
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide
SMILESC=C/C=C(C(=O)/C=C/C(C=C)=C/CCC=C)\C(=C/C)CCNC(C)=O
InChIInChI=1S/C22H29NO2/c1-6-10-11-13-19(8-3)14-15-22(25)21(12-7-2)20(9-4)16-17-23-18(5)24/h6-9,12-15H,1-3,10-11,16-17H2,4-5H3,(H,23,24)/b15-14+,19-13+,20-9-,21-12+
InChIKeyGWQHLCKSPOLTOX-XWWNOTNUSA-N
XLogP4.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.78
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'}

Analyze N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide?
The IUPAC name of N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide (CID 134238679) is N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide.
What is the SMILES notation for N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide?
The canonical SMILES for N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide is C=C/C=C(C(=O)/C=C/C(C=C)=C/CCC=C)\C(=C/C)CCNC(C)=O.
What is the InChIKey of N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide?
The InChIKey is GWQHLCKSPOLTOX-XWWNOTNUSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-10-11-13-19(8-3)14-15-22(25)21(12-7-2)20(9-4)16-17-23-18(5)24/h6-9,12-15H,1-3,10-11,16-17H2,4-5H3,(H,23,24)/b15-14+,19-13+,20-9-,21-12+.
What are the key properties of N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide?
N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.78, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,4E,6E,8E)-8-ethenyl-3-ethylidene-5-oxo-4-prop-2-enylidenetrideca-6,8,12-trienyl]acetamide is sourced from PubChem (CID 134238679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).