N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide

C16H25NO2 — CID 54116063

IUPACN-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide
SMILESC#CCOCCCCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C16H25NO2/c1-4-12-19-13-10-8-6-5-7-9-11-16(18)17-14-15(2)3/h1,5,7,9,11,15H,6,8,10,12-14H2,2-3H3,(H,17,18)
InChIKeyNKKWDYAMHOHUTE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds10

About N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide

N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide (PubChem CID 54116063) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide
PubChem CID54116063
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide
SMILESC#CCOCCCCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C16H25NO2/c1-4-12-19-13-10-8-6-5-7-9-11-16(18)17-14-15(2)3/h1,5,7,9,11,15H,6,8,10,12-14H2,2-3H3,(H,17,18)
InChIKeyNKKWDYAMHOHUTE-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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)-9-prop-2-ynoxynona-2,4-dienamide?
The IUPAC name of N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide (CID 54116063) is N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide.
What is the SMILES notation for N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide?
The canonical SMILES for N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide is C#CCOCCCCC=CC=CC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide?
The InChIKey is NKKWDYAMHOHUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-12-19-13-10-8-6-5-7-9-11-16(18)17-14-15(2)3/h1,5,7,9,11,15H,6,8,10,12-14H2,2-3H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide?
N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide has a molecular weight of 263.38 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-9-prop-2-ynoxynona-2,4-dienamide is sourced from PubChem (CID 54116063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).