2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone

C20H30N2O3 — CID 110155675

IUPAC2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCCOCC(=O)N1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1
InChIInChI=1S/C20H30N2O3/c1-2-25-16-19(24)21-14-11-20(18(23)15-21)10-6-12-22(20)13-9-17-7-4-3-5-8-17/h3-5,7-8,18,23H,2,6,9-16H2,1H3/t18-,20-/m0/s1
InChIKeyJJQDAHQOKNIHEL-ICSRJNTNSA-N
MW346.47 g/mol
LogP1.69
Rot. Bonds6

About 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone

2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 110155675) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID110155675
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCCOCC(=O)N1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1
InChIInChI=1S/C20H30N2O3/c1-2-25-16-19(24)21-14-11-20(18(23)15-21)10-6-12-22(20)13-9-17-7-4-3-5-8-17/h3-5,7-8,18,23H,2,6,9-16H2,1H3/t18-,20-/m0/s1
InChIKeyJJQDAHQOKNIHEL-ICSRJNTNSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide
CID 110077683
2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 110166571
(5S,6S)-1-(2-phenylethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decan-6-ol
CID 110155607
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 155988682
N-[2-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162152
N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162119
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418293
(3S)-1-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96576719
(3R,4S)-3-hydroxy-1-(3-phenylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 135088400
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 110155675) is 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone is CCOCC(=O)N1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1.
What is the InChIKey of 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is JJQDAHQOKNIHEL-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-25-16-19(24)21-14-11-20(18(23)15-21)10-6-12-22(20)13-9-17-7-4-3-5-8-17/h3-5,7-8,18,23H,2,6,9-16H2,1H3/t18-,20-/m0/s1.
What are the key properties of 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 346.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 110155675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).