9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C17H23NO3 — CID 72939057

IUPAC9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCOc1cccc(CCN2CC3(CCOC3)CCC2=O)c1
InChIInChI=1S/C17H23NO3/c1-20-15-4-2-3-14(11-15)6-9-18-12-17(7-5-16(18)19)8-10-21-13-17/h2-4,11H,5-10,12-13H2,1H3
InChIKeyYYGDGXMYCNHLDK-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.27
Rot. Bonds4

About 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72939057) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72939057
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCOc1cccc(CCN2CC3(CCOC3)CCC2=O)c1
InChIInChI=1S/C17H23NO3/c1-20-15-4-2-3-14(11-15)6-9-18-12-17(7-5-16(18)19)8-10-21-13-17/h2-4,11H,5-10,12-13H2,1H3
InChIKeyYYGDGXMYCNHLDK-UHFFFAOYSA-N
XLogP2.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97145131
2-(2-hydroxyethyl)-9-[3-(3-methoxyphenyl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72874006
(5R)-9-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127415
(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97131962
(6S)-2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97124836
(5S)-9-(3-indol-1-ylpropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97156715
9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72916661
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717871
(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97136277
N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
CID 72850449
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72939057) is 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is COc1cccc(CCN2CC3(CCOC3)CCC2=O)c1.
What is the InChIKey of 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is YYGDGXMYCNHLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-4-2-3-14(11-15)6-9-18-12-17(7-5-16(18)19)8-10-21-13-17/h2-4,11H,5-10,12-13H2,1H3.
What are the key properties of 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 289.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72939057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).