(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

C18H29NO — CID 5318941

IUPAC(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
SMILESCC/C=C/C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+
InChIKeyYFRGJIVWBMOBIT-NPNWTSAVSA-N
MW275.44 g/mol
LogP4.56
Rot. Bonds10

About (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide (PubChem CID 5318941) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide.

Molecular Properties

Compound Name(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
PubChem CID5318941
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
SMILESCC/C=C/C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+
InChIKeyYFRGJIVWBMOBIT-NPNWTSAVSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

CID 5318516
CID 5318516
CID 5353001
CID 5353001
CID 5318518
CID 5318518
CID 14135316
CID 14135316
CID 6443006
CID 6443006
CID 9974234
CID 9974234
CID 10084135
CID 10084135
CID 10220912
CID 10220912
CID 14135317
CID 14135317
CID 11368078
CID 11368078
CID 11413953
CID 11413953
CID 10731388
CID 10731388

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The IUPAC name of (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide (CID 5318941) is (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide.
What is the SMILES notation for (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The canonical SMILES for (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide is CC/C=C/C/C=C\CC/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The InChIKey is YFRGJIVWBMOBIT-NPNWTSAVSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h5-6,8-9,12-15,17H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+.
What are the key properties of (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide has a molecular weight of 275.44 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide is sourced from PubChem (CID 5318941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).