1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone

C19H27NO3 — CID 111456935

IUPAC1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
SMILESCCOC1CC(O)C12CCN(C(=O)Cc1ccc(C)cc1)CC2
InChIInChI=1S/C19H27NO3/c1-3-23-17-13-16(21)19(17)8-10-20(11-9-19)18(22)12-15-6-4-14(2)5-7-15/h4-7,16-17,21H,3,8-13H2,1-2H3
InChIKeyHGHAFTNAYGVYTC-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.32
Rot. Bonds4

About 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone (PubChem CID 111456935) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
PubChem CID111456935
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
SMILESCCOC1CC(O)C12CCN(C(=O)Cc1ccc(C)cc1)CC2
InChIInChI=1S/C19H27NO3/c1-3-23-17-13-16(21)19(17)8-10-20(11-9-19)18(22)12-15-6-4-14(2)5-7-15/h4-7,16-17,21H,3,8-13H2,1-2H3
InChIKeyHGHAFTNAYGVYTC-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78087863
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 71929956
1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 97216063
(2S)-2-amino-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-phenylpropan-1-one
CID 125134162
(3-chloro-2-methylphenyl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627681
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
(3-chloro-2-methylphenyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627683
3-(2,4-difluorophenyl)-1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 133123141
(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
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone (CID 111456935) is 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone is CCOC1CC(O)C12CCN(C(=O)Cc1ccc(C)cc1)CC2.
What is the InChIKey of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is HGHAFTNAYGVYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-23-17-13-16(21)19(17)8-10-20(11-9-19)18(22)12-15-6-4-14(2)5-7-15/h4-7,16-17,21H,3,8-13H2,1-2H3.
What are the key properties of 1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone?
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 317.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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-(4-methylphenyl)ethanone is sourced from PubChem (CID 111456935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).