2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide

C16H28N2O3 — CID 171442685

IUPAC2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide
SMILESCNC(C)(C)COCNC(=O)COC1C#CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-16(2,17-3)12-20-13-18-15(19)11-21-14-9-7-5-4-6-8-10-14/h14,17H,4-7,9,11-13H2,1-3H3,(H,18,19)
InChIKeySEFJUESPLSIWIK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.43
Rot. Bonds8

About 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide

2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide (PubChem CID 171442685) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide.

Molecular Properties

Compound Name2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide
PubChem CID171442685
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide
SMILESCNC(C)(C)COCNC(=O)COC1C#CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-16(2,17-3)12-20-13-18-15(19)11-21-14-9-7-5-4-6-8-10-14/h14,17H,4-7,9,11-13H2,1-3H3,(H,18,19)
InChIKeySEFJUESPLSIWIK-UHFFFAOYSA-N
XLogP1.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethylphosphonic acid
CID 130277556
2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118121596
2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 164777208
2-[[2-[[2-[[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 168986531
tert-butyl-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy-hydroxyphosphoryl]oxyphosphinic acid
CID 171745090
2-cyclooct-2-yn-1-yloxy-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 176885480
1-cyclooct-2-yn-1-yloxy-3,3-dimethylhexan-2-one
CID 139307723
4-[2-[2-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]butanamide
CID 175802436
2-cyclooct-2-yn-1-yloxy-N-[2-(5-methyl-4-oxohexoxy)ethyl]acetamide
CID 134575386
N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide
CID 174360325
2-cyclooct-2-yn-1-yloxyacetic acid;N-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 159935946
2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
CID 167338766

Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide?
The IUPAC name of 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide (CID 171442685) is 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide.
What is the SMILES notation for 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide?
The canonical SMILES for 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide is CNC(C)(C)COCNC(=O)COC1C#CCCCCC1.
What is the InChIKey of 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide?
The InChIKey is SEFJUESPLSIWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,17-3)12-20-13-18-15(19)11-21-14-9-7-5-4-6-8-10-14/h14,17H,4-7,9,11-13H2,1-3H3,(H,18,19).
What are the key properties of 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide?
2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooct-2-yn-1-yloxy-N-[[2-methyl-2-(methylamino)propoxy]methyl]acetamide is sourced from PubChem (CID 171442685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).