2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide

C15H28N2O3 — CID 111458852

IUPAC2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide
SMILESCCOC1CC(O)C12CCN(C(C)C(=O)N(C)C)CC2
InChIInChI=1S/C15H28N2O3/c1-5-20-13-10-12(18)15(13)6-8-17(9-7-15)11(2)14(19)16(3)4/h11-13,18H,5-10H2,1-4H3
InChIKeyPXZFIVHAEFUCRE-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.71
Rot. Bonds4

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

2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide (PubChem CID 111458852) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide
PubChem CID111458852
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide
SMILESCCOC1CC(O)C12CCN(C(C)C(=O)N(C)C)CC2
InChIInChI=1S/C15H28N2O3/c1-5-20-13-10-12(18)15(13)6-8-17(9-7-15)11(2)14(19)16(3)4/h11-13,18H,5-10H2,1-4H3
InChIKeyPXZFIVHAEFUCRE-UHFFFAOYSA-N
XLogP0.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)butanamide
CID 111457232
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-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
(2R)-2-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 98768023
(2R)-2-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 98768021
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(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-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide (CID 111458852) is 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide is CCOC1CC(O)C12CCN(C(C)C(=O)N(C)C)CC2.
What is the InChIKey of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide?
The InChIKey is PXZFIVHAEFUCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-20-13-10-12(18)15(13)6-8-17(9-7-15)11(2)14(19)16(3)4/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide?
2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-N,N-dimethylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 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)-N,N-dimethylpropanamide is sourced from PubChem (CID 111458852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).