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

C20H30N2O3 — CID 111456853

IUPAC1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone
SMILESCCOC1CC(O)C12CCN(C(=O)CN(CC)c1ccccc1)CC2
InChIInChI=1S/C20H30N2O3/c1-3-21(16-8-6-5-7-9-16)15-19(24)22-12-10-20(11-13-22)17(23)14-18(20)25-4-2/h5-9,17-18,23H,3-4,10-15H2,1-2H3
InChIKeyBKTQKIUHQXZDQJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.29
Rot. Bonds6

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

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone (PubChem CID 111456853) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone
PubChem CID111456853
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone
SMILESCCOC1CC(O)C12CCN(C(=O)CN(CC)c1ccccc1)CC2
InChIInChI=1S/C20H30N2O3/c1-3-21(16-8-6-5-7-9-16)15-19(24)22-12-10-20(11-13-22)17(23)14-18(20)25-4-2/h5-9,17-18,23H,3-4,10-15H2,1-2H3
InChIKeyBKTQKIUHQXZDQJ-UHFFFAOYSA-N
XLogP2.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111456899
(2S)-2-amino-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-phenylpropan-1-one
CID 125134162
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
CID 97216054
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
CID 111456935
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99698152
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-4-pyridin-2-ylbutan-1-one
CID 97100777
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone?
The IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone (CID 111456853) is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone.
What is the SMILES notation for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone?
The canonical SMILES for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone is CCOC1CC(O)C12CCN(C(=O)CN(CC)c1ccccc1)CC2.
What is the InChIKey of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone?
The InChIKey is BKTQKIUHQXZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-21(16-8-6-5-7-9-16)15-19(24)22-12-10-20(11-13-22)17(23)14-18(20)25-4-2/h5-9,17-18,23H,3-4,10-15H2,1-2H3.
What are the key properties of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone?
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-(N-ethylanilino)ethanone is sourced from PubChem (CID 111456853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).