N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide

C17H30N2O3 — CID 91649467

IUPACN-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCOC1CC(O)C12CCN(C(=O)NC(C)C1CCC1)CC2
InChIInChI=1S/C17H30N2O3/c1-3-22-15-11-14(20)17(15)7-9-19(10-8-17)16(21)18-12(2)13-5-4-6-13/h12-15,20H,3-11H2,1-2H3,(H,18,21)
InChIKeyKSAKZAHZTDYTIX-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.14
Rot. Bonds4

About N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide

N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 91649467) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID91649467
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCOC1CC(O)C12CCN(C(=O)NC(C)C1CCC1)CC2
InChIInChI=1S/C17H30N2O3/c1-3-22-15-11-14(20)17(15)7-9-19(10-8-17)16(21)18-12(2)13-5-4-6-13/h12-15,20H,3-11H2,1-2H3,(H,18,21)
InChIKeyKSAKZAHZTDYTIX-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide (CID 91649467) is N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is CCOC1CC(O)C12CCN(C(=O)NC(C)C1CCC1)CC2.
What is the InChIKey of N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is KSAKZAHZTDYTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-22-15-11-14(20)17(15)7-9-19(10-8-17)16(21)18-12(2)13-5-4-6-13/h12-15,20H,3-11H2,1-2H3,(H,18,21).
What are the key properties of N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide?
N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 91649467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).