(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide

C20H29NO — CID 14259841

IUPAC(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
SMILESCC#CC#CC/C=C/CCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C20H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h9-10,16-17,19H,8,11-15,18H2,1-3H3,(H,21,22)/b10-9+,17-16+
InChIKeyLSWADFLHCRYURF-JIXWLFTNSA-N
MW299.46 g/mol
LogP4.24
Rot. Bonds10

About (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide

(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide (PubChem CID 14259841) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide.

Molecular Properties

Compound Name(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
PubChem CID14259841
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
SMILESCC#CC#CC/C=C/CCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C20H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h9-10,16-17,19H,8,11-15,18H2,1-3H3,(H,21,22)/b10-9+,17-16+
InChIKeyLSWADFLHCRYURF-JIXWLFTNSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.24
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
CID 71337744
(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide
CID 101414630
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
hepta-1,3,5-triyne;hexa-1,3,5-triyne;(2E,6Z,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide;(3E,7Z,9E)-undeca-3,7,9-trien-2-one
CID 160629339
(E)-tridec-4-en-7,9,11-triyn-1-ol
CID 101412524
N-(2-methylbutyl)dodec-2-enamide
CID 163098446

Frequently Asked Questions

What is the IUPAC name of (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide?
The IUPAC name of (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide (CID 14259841) is (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide.
What is the SMILES notation for (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide?
The canonical SMILES for (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide is CC#CC#CC/C=C/CCCCC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide?
The InChIKey is LSWADFLHCRYURF-JIXWLFTNSA-N. The full InChI is InChI=1S/C20H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h9-10,16-17,19H,8,11-15,18H2,1-3H3,(H,21,22)/b10-9+,17-16+.
What are the key properties of (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide?
(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide has a molecular weight of 299.46 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide is sourced from PubChem (CID 14259841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).