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

C13H24N2O2 — CID 64862902

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide
SMILESCCOC1CC(NCC(=O)NC)C12CCCC2
InChIInChI=1S/C13H24N2O2/c1-3-17-11-8-10(15-9-12(16)14-2)13(11)6-4-5-7-13/h10-11,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyWQEPCIWVNDJEPV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds5

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

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide (PubChem CID 64862902) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide
PubChem CID64862902
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide
SMILESCCOC1CC(NCC(=O)NC)C12CCCC2
InChIInChI=1S/C13H24N2O2/c1-3-17-11-8-10(15-9-12(16)14-2)13(11)6-4-5-7-13/h10-11,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyWQEPCIWVNDJEPV-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
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]-N-methylacetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide (CID 64862902) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide is CCOC1CC(NCC(=O)NC)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide?
The InChIKey is WQEPCIWVNDJEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-17-11-8-10(15-9-12(16)14-2)13(11)6-4-5-7-13/h10-11,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-methylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 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]-N-methylacetamide is sourced from PubChem (CID 64862902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).