2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide

C25H43NO2 — CID 156516751

IUPAC2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1CCCCCC(C#CC2CCCCCCCCC2)CC1
InChIInChI=1S/C25H43NO2/c1-26(28-2)25(27)21-24-16-12-8-11-15-23(19-20-24)18-17-22-13-9-6-4-3-5-7-10-14-22/h22-24H,3-16,19-21H2,1-2H3
InChIKeyCHFIPNJBTCTQLW-UHFFFAOYSA-N
MW389.62 g/mol
LogP6.52
Rot. Bonds3

About 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide

2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide (PubChem CID 156516751) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide
PubChem CID156516751
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1CCCCCC(C#CC2CCCCCCCCC2)CC1
InChIInChI=1S/C25H43NO2/c1-26(28-2)25(27)21-24-16-12-8-11-15-23(19-20-24)18-17-22-13-9-6-4-3-5-7-10-14-22/h22-24H,3-16,19-21H2,1-2H3
InChIKeyCHFIPNJBTCTQLW-UHFFFAOYSA-N
XLogP6.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.52
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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Related Compounds

2-cyclopentyl-N-methoxy-N-methylacetamide
CID 15158208
3-cyclobutyl-N-methoxy-N-methyl-2-oxopropanamide
CID 18374694
3-cyclobutyl-N-methoxy-N-methylpropanamide
CID 142020643
N-(4-cyanocyclohexyl)-2-cyclohexyl-N-methylacetamide
CID 116817101
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide
CID 102852254
N-methoxy-N-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 59808791
2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635605
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510
N-methoxy-N-methyl-2-[(1R)-2-methylidenecyclohexyl]acetamide
CID 135001013
1-cyclohexadecylpropan-2-one
CID 175123721
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide (CID 156516751) is 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide is CON(C)C(=O)CC1CCCCCC(C#CC2CCCCCCCCC2)CC1.
What is the InChIKey of 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide?
The InChIKey is CHFIPNJBTCTQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO2/c1-26(28-2)25(27)21-24-16-12-8-11-15-23(19-20-24)18-17-22-13-9-6-4-3-5-7-10-14-22/h22-24H,3-16,19-21H2,1-2H3.
What are the key properties of 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide?
2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide has a molecular weight of 389.62 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclodecylethynyl)cyclononyl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 156516751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).