2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide

C14H26N2O3 — CID 111457232

IUPAC2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide
SMILESCCOC1CC(O)C12CCN(C(CC)C(N)=O)CC2
InChIInChI=1S/C14H26N2O3/c1-3-10(13(15)18)16-7-5-14(6-8-16)11(17)9-12(14)19-4-2/h10-12,17H,3-9H2,1-2H3,(H2,15,18)
InChIKeyLDUQPAIJDHCCIC-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.50
Rot. Bonds5

About 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide

2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide (PubChem CID 111457232) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide.

Molecular Properties

Compound Name2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide
PubChem CID111457232
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide
SMILESCCOC1CC(O)C12CCN(C(CC)C(N)=O)CC2
InChIInChI=1S/C14H26N2O3/c1-3-10(13(15)18)16-7-5-14(6-8-16)11(17)9-12(14)19-4-2/h10-12,17H,3-9H2,1-2H3,(H2,15,18)
InChIKeyLDUQPAIJDHCCIC-UHFFFAOYSA-N
XLogP0.50
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide
CID 111458852
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308
3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 120501516
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
(E)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-ethylbut-2-en-1-one
CID 124744176
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-ethylbut-2-en-1-one
CID 126799817
1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111457366
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide?
The IUPAC name of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide (CID 111457232) is 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide.
What is the SMILES notation for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide?
The canonical SMILES for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide is CCOC1CC(O)C12CCN(C(CC)C(N)=O)CC2.
What is the InChIKey of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide?
The InChIKey is LDUQPAIJDHCCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-10(13(15)18)16-7-5-14(6-8-16)11(17)9-12(14)19-4-2/h10-12,17H,3-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide?
2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide has a molecular weight of 270.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide is sourced from PubChem (CID 111457232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).