1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride

C15H29ClN2O4 — CID 119801192

IUPAC1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCCOC1CC(O)C12CCN(C(=O)CNCCOC)CC2.Cl
InChIInChI=1S/C15H28N2O4.ClH/c1-3-21-13-10-12(18)15(13)4-7-17(8-5-15)14(19)11-16-6-9-20-2;/h12-13,16,18H,3-11H2,1-2H3;1H
InChIKeyYULZFMUONPIHNZ-UHFFFAOYSA-N
MW336.86 g/mol
LogP0.42
Rot. Bonds7

About 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride (PubChem CID 119801192) has the molecular formula C15H29ClN2O4 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
PubChem CID119801192
Molecular FormulaC15H29ClN2O4
Molecular Weight336.86 g/mol
Exact Mass336.18
IUPAC Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCCOC1CC(O)C12CCN(C(=O)CNCCOC)CC2.Cl
InChIInChI=1S/C15H28N2O4.ClH/c1-3-21-13-10-12(18)15(13)4-7-17(8-5-15)14(19)11-16-6-9-20-2;/h12-13,16,18H,3-11H2,1-2H3;1H
InChIKeyYULZFMUONPIHNZ-UHFFFAOYSA-N
XLogP0.42
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 120501516
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[2-(2-methoxyethylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 79282003
(E)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-ethylbut-2-en-1-one
CID 124744176
1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111457366
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride (CID 119801192) is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride is CCOC1CC(O)C12CCN(C(=O)CNCCOC)CC2.Cl.
What is the InChIKey of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The InChIKey is YULZFMUONPIHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4.ClH/c1-3-21-13-10-12(18)15(13)4-7-17(8-5-15)14(19)11-16-6-9-20-2;/h12-13,16,18H,3-11H2,1-2H3;1H.
What are the key properties of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride is sourced from PubChem (CID 119801192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).