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

C19H27NO — CID 14259840

IUPAC(2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide
SMILESC#CC#CC/C=C\CCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C19H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)20-17-18(2)3/h1,8-9,15-16,18H,7,10-14,17H2,2-3H3,(H,20,21)/b9-8-,16-15+
InChIKeyABSLRBKEGBEWJT-ZHEVCFECSA-N
MW285.43 g/mol
LogP3.85
Rot. Bonds10

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

(2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide (PubChem CID 14259840) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide.

Molecular Properties

Compound Name(2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide
PubChem CID14259840
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide
SMILESC#CC#CC/C=C\CCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C19H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)20-17-18(2)3/h1,8-9,15-16,18H,7,10-14,17H2,2-3H3,(H,20,21)/b9-8-,16-15+
InChIKeyABSLRBKEGBEWJT-ZHEVCFECSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide?
The IUPAC name of (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide (CID 14259840) is (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide.
What is the SMILES notation for (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide?
The canonical SMILES for (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide is C#CC#CC/C=C\CCCCC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide?
The InChIKey is ABSLRBKEGBEWJT-ZHEVCFECSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)20-17-18(2)3/h1,8-9,15-16,18H,7,10-14,17H2,2-3H3,(H,20,21)/b9-8-,16-15+.
What are the key properties of (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide?
(2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide has a molecular weight of 285.43 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide is sourced from PubChem (CID 14259840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).