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

C15H28N2O2 — CID 64864423

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CC(OCC)C12CCCC2
InChIInChI=1S/C15H28N2O2/c1-3-9-16-14(18)11-17-12-10-13(19-4-2)15(12)7-5-6-8-15/h12-13,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyJELUSURZJQXFHB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.84
Rot. Bonds7

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

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide (PubChem CID 64864423) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide
PubChem CID64864423
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNC1CC(OCC)C12CCCC2
InChIInChI=1S/C15H28N2O2/c1-3-9-16-14(18)11-17-12-10-13(19-4-2)15(12)7-5-6-8-15/h12-13,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyJELUSURZJQXFHB-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.84
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-propylacetamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide (CID 64864423) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide is CCCNC(=O)CNC1CC(OCC)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide?
The InChIKey is JELUSURZJQXFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-9-16-14(18)11-17-12-10-13(19-4-2)15(12)7-5-6-8-15/h12-13,17H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.84, 7 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-propylacetamide is sourced from PubChem (CID 64864423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).