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

C20H29NO — CID 72729166

IUPACN-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
SMILESCC#CC#CCC=CCCCCCC=CC(=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)
InChIKeyLSWADFLHCRYURF-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.24
Rot. Bonds10

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

N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide (PubChem CID 72729166) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide.

Molecular Properties

Compound NameN-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
PubChem CID72729166
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
SMILESCC#CC#CCC=CCCCCCC=CC(=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)
InChIKeyLSWADFLHCRYURF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide?
The IUPAC name of N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide (CID 72729166) is N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide.
What is the SMILES notation for N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide?
The canonical SMILES for N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide is CC#CC#CCC=CCCCCCC=CC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide?
The InChIKey is LSWADFLHCRYURF-UHFFFAOYSA-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).
What are the key properties of N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide?
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 N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide is sourced from PubChem (CID 72729166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).