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

C13H24N2O2 — CID 64864232

IUPAC3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide
SMILESCCOC1CC(NCCC(N)=O)C12CCCC2
InChIInChI=1S/C13H24N2O2/c1-2-17-11-9-10(15-8-5-12(14)16)13(11)6-3-4-7-13/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyIILSTZYHOZLYCL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds6

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

3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide (PubChem CID 64864232) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide
PubChem CID64864232
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide
SMILESCCOC1CC(NCCC(N)=O)C12CCCC2
InChIInChI=1S/C13H24N2O2/c1-2-17-11-9-10(15-8-5-12(14)16)13(11)6-3-4-7-13/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyIILSTZYHOZLYCL-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide?
The IUPAC name of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide (CID 64864232) is 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide?
The canonical SMILES for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide is CCOC1CC(NCCC(N)=O)C12CCCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide?
The InChIKey is IILSTZYHOZLYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-11-9-10(15-8-5-12(14)16)13(11)6-3-4-7-13/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide?
3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]propanamide is sourced from PubChem (CID 64864232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).