N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide

C20H9NO2 — CID 162497244

IUPACN-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC(=O)N(C)OC
InChIInChI=1S/C20H9NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)23-3/h1-3H3
InChIKeyAEMMMGKTGTYMKM-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.05
Rot. Bonds1

About N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide

N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide (PubChem CID 162497244) has the molecular formula C20H9NO2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide.

Molecular Properties

Compound NameN-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide
PubChem CID162497244
Molecular FormulaC20H9NO2
Molecular Weight295.30 g/mol
Exact Mass295.06
IUPAC NameN-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC(=O)N(C)OC
InChIInChI=1S/C20H9NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)23-3/h1-3H3
InChIKeyAEMMMGKTGTYMKM-UHFFFAOYSA-N
XLogP0.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide?
The IUPAC name of N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide (CID 162497244) is N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide.
What is the SMILES notation for N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide?
The canonical SMILES for N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide is CC#CC#CC#CC#CC#CC#CC#CC#CC(=O)N(C)OC.
What is the InChIKey of N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide?
The InChIKey is AEMMMGKTGTYMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)23-3/h1-3H3.
What are the key properties of N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide?
N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide has a molecular weight of 295.30 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyloctadeca-2,4,6,8,10,12,14,16-octaynamide is sourced from PubChem (CID 162497244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).