9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H30N2O4 — CID 70706928

IUPAC9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)c1OC
InChIInChI=1S/C20H30N2O4/c1-25-17-5-3-4-16(19(17)26-2)14-21-10-8-20(9-11-21)7-6-18(24)22(15-20)12-13-23/h3-5,23H,6-15H2,1-2H3
InChIKeyXFDXKTKIJOJJBG-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.90
Rot. Bonds6

About 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70706928) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70706928
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)c1OC
InChIInChI=1S/C20H30N2O4/c1-25-17-5-3-4-16(19(17)26-2)14-21-10-8-20(9-11-21)7-6-18(24)22(15-20)12-13-23/h3-5,23H,6-15H2,1-2H3
InChIKeyXFDXKTKIJOJJBG-UHFFFAOYSA-N
XLogP1.90
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethyl)-9-[(2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70760143
2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70763802
2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70765346
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 98894470
9-[(2,3-difluorophenyl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781347
2-(3-hydroxypropyl)-9-[(4-methylnaphthalen-1-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747225
(3S)-8-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95724819
2-(3-hydroxypropyl)-9-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751868
8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70706140
1-[2-[(5S)-9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]pyrrolidin-2-one
CID 25455750
9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70704920

Frequently Asked Questions

What is the IUPAC name of 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70706928) is 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COc1cccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)c1OC.
What is the InChIKey of 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XFDXKTKIJOJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-17-5-3-4-16(19(17)26-2)14-21-10-8-20(9-11-21)7-6-18(24)22(15-20)12-13-23/h3-5,23H,6-15H2,1-2H3.
What are the key properties of 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70706928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).