2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide

C12H22N2O2 — CID 64863266

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
SMILESCCOC1CC(NCC(N)=O)C12CCCC2
InChIInChI=1S/C12H22N2O2/c1-2-16-10-7-9(14-8-11(13)15)12(10)5-3-4-6-12/h9-10,14H,2-8H2,1H3,(H2,13,15)
InChIKeyJQNMGWUAGHMHRH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds5

About 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide (PubChem CID 64863266) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
PubChem CID64863266
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide
SMILESCCOC1CC(NCC(N)=O)C12CCCC2
InChIInChI=1S/C12H22N2O2/c1-2-16-10-7-9(14-8-11(13)15)12(10)5-3-4-6-12/h9-10,14H,2-8H2,1H3,(H2,13,15)
InChIKeyJQNMGWUAGHMHRH-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide (CID 64863266) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide is CCOC1CC(NCC(N)=O)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide?
The InChIKey is JQNMGWUAGHMHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-10-7-9(14-8-11(13)15)12(10)5-3-4-6-12/h9-10,14H,2-8H2,1H3,(H2,13,15).
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]acetamide is sourced from PubChem (CID 64863266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).