9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C22H26N2O3 — CID 118562319

IUPAC9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(CCc3cccc(O)c3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H26N2O3/c25-20-8-4-5-18(15-20)9-12-23-13-10-22(11-14-23)17-24(21(26)16-27-22)19-6-2-1-3-7-19/h1-8,15,25H,9-14,16-17H2
InChIKeySJJLYJUSABEUAJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.83
Rot. Bonds4

About 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118562319) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118562319
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(CCc3cccc(O)c3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H26N2O3/c25-20-8-4-5-18(15-20)9-12-23-13-10-22(11-14-23)17-24(21(26)16-27-22)19-6-2-1-3-7-19/h1-8,15,25H,9-14,16-17H2
InChIKeySJJLYJUSABEUAJ-UHFFFAOYSA-N
XLogP2.83
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
4-phenyl-9-(3-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986038
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
9-[(1-methylpyrrol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451063
9-[(2-chlorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986013
4-phenyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372508
9-[(2-fluorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985914
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539
2-(hydroxymethyl)-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562362
9-[2-(3-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562440
(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 125021048
9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986070

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118562319) is 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(CCc3cccc(O)c3)CC2)CN1c1ccccc1.
What is the InChIKey of 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SJJLYJUSABEUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-20-8-4-5-18(15-20)9-12-23-13-10-22(11-14-23)17-24(21(26)16-27-22)19-6-2-1-3-7-19/h1-8,15,25H,9-14,16-17H2.
What are the key properties of 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118562319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).