3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide

C13H22N2O2 — CID 156533282

IUPAC3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide
SMILESNCCC(=O)NCCOC1C#CCCCCC1
InChIInChI=1S/C13H22N2O2/c14-9-8-13(16)15-10-11-17-12-6-4-2-1-3-5-7-12/h12H,1-4,6,8-11,14H2,(H,15,16)
InChIKeyIUFMDRLYCCKRDM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.80
Rot. Bonds6

About 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide

3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide (PubChem CID 156533282) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide
PubChem CID156533282
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide
SMILESNCCC(=O)NCCOC1C#CCCCCC1
InChIInChI=1S/C13H22N2O2/c14-9-8-13(16)15-10-11-17-12-6-4-2-1-3-5-7-12/h12H,1-4,6,8-11,14H2,(H,15,16)
InChIKeyIUFMDRLYCCKRDM-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]butanamide
CID 175802436
N-[2-(3-amino-2-methylpropoxy)ethyl]-2-cyclooct-2-yn-1-yloxyacetamide
CID 174360325
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-[3-[2-[2-[2-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
CID 171654167
2-cyclooct-2-yn-1-yloxy-N-[2-(5-methyl-4-oxohexoxy)ethyl]acetamide
CID 134575386
2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethylphosphonic acid
CID 130277556
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
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
tert-butyl-[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]ethoxy-hydroxyphosphoryl]oxyphosphinic acid
CID 171745090
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
CID 119325380
2-[[2-[[2-[[2-[(2-cyclooct-2-yn-1-yloxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 168986531

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide?
The IUPAC name of 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide (CID 156533282) is 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide?
The canonical SMILES for 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide is NCCC(=O)NCCOC1C#CCCCCC1.
What is the InChIKey of 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide?
The InChIKey is IUFMDRLYCCKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-9-8-13(16)15-10-11-17-12-6-4-2-1-3-5-7-12/h12H,1-4,6,8-11,14H2,(H,15,16).
What are the key properties of 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide?
3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclooct-2-yn-1-yloxyethyl)propanamide is sourced from PubChem (CID 156533282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).