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

C16H30N2O2 — CID 64864242

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CC(OCC)C12CCCC2
InChIInChI=1S/C16H30N2O2/c1-4-10-17-15(19)12(3)18-13-11-14(20-5-2)16(13)8-6-7-9-16/h12-14,18H,4-11H2,1-3H3,(H,17,19)
InChIKeyKNVGKXQHQHXPFC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.23
Rot. Bonds7

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

2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide (PubChem CID 64864242) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide
PubChem CID64864242
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CC(OCC)C12CCCC2
InChIInChI=1S/C16H30N2O2/c1-4-10-17-15(19)12(3)18-13-11-14(20-5-2)16(13)8-6-7-9-16/h12-14,18H,4-11H2,1-3H3,(H,17,19)
InChIKeyKNVGKXQHQHXPFC-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.23
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-propylpropanamide?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide (CID 64864242) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1CC(OCC)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide?
The InChIKey is KNVGKXQHQHXPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-10-17-15(19)12(3)18-13-11-14(20-5-2)16(13)8-6-7-9-16/h12-14,18H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide?
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-N-propylpropanamide has a molecular weight of 282.43 g/mol, XLogP of 2.23, 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-propylpropanamide is sourced from PubChem (CID 64864242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).