9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H29ClN2O3 — CID 70704920

IUPAC9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1Cl
InChIInChI=1S/C20H29ClN2O3/c1-2-26-18-4-3-16(13-17(18)21)14-22-9-7-20(8-10-22)6-5-19(25)23(15-20)11-12-24/h3-4,13,24H,2,5-12,14-15H2,1H3
InChIKeyLQBOWJVGOLXHDP-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.94
Rot. Bonds6

About 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70704920) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70704920
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCOc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1Cl
InChIInChI=1S/C20H29ClN2O3/c1-2-26-18-4-3-16(13-17(18)21)14-22-9-7-20(8-10-22)6-5-19(25)23(15-20)11-12-24/h3-4,13,24H,2,5-12,14-15H2,1H3
InChIKeyLQBOWJVGOLXHDP-UHFFFAOYSA-N
XLogP2.94
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70712571
2-(3-hydroxypropyl)-9-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751868
9-[(4-ethoxyphenyl)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70716832
2-(2-hydroxyethyl)-9-[(3,4,5-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70782130
8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725865
2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70763802
(6R)-8-[(4-ethoxyphenyl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576588
2-(2-hydroxyethyl)-9-[(2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70760143
4-[[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 70782249
9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706928
8-[(3,4-dimethylphenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740150
2-(3-methoxypropyl)-9-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70778884

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70704920) is 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCOc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1Cl.
What is the InChIKey of 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LQBOWJVGOLXHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c1-2-26-18-4-3-16(13-17(18)21)14-22-9-7-20(8-10-22)6-5-19(25)23(15-20)11-12-24/h3-4,13,24H,2,5-12,14-15H2,1H3.
What are the key properties of 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.92 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-4-ethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70704920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).