9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

C18H24N2O4 — CID 157019313

IUPAC9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(Cc1cccc(O)c1)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C18H24N2O4/c21-11-10-19-8-2-6-18(17(19)24)7-3-9-20(18)16(23)13-14-4-1-5-15(22)12-14/h1,4-5,12,21-22H,2-3,6-11,13H2
InChIKeyIEFPGWVGQOWJJP-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.91
Rot. Bonds4

About 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 157019313) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID157019313
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(Cc1cccc(O)c1)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C18H24N2O4/c21-11-10-19-8-2-6-18(17(19)24)7-3-9-20(18)16(23)13-14-4-1-5-15(22)12-14/h1,4-5,12,21-22H,2-3,6-11,13H2
InChIKeyIEFPGWVGQOWJJP-UHFFFAOYSA-N
XLogP0.91
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-hydroxyethyl)-1-[2-(4-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019736
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
1-[2-(3-methoxyphenyl)acetyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162627422
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629125
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631408
2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
CID 75518815
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633347
(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115699

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 157019313) is 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is O=C(Cc1cccc(O)c1)N1CCCC12CCCN(CCO)C2=O.
What is the InChIKey of 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is IEFPGWVGQOWJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-11-10-19-8-2-6-18(17(19)24)7-3-9-20(18)16(23)13-14-4-1-5-15(22)12-14/h1,4-5,12,21-22H,2-3,6-11,13H2.
What are the key properties of 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 332.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 157019313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).