8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C22H35N3O3 — CID 70706140

IUPAC8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(Cc3cccc(OC)c3OCCN(C)C)CC2)CC1=O
InChIInChI=1S/C22H35N3O3/c1-5-25-17-22(15-20(25)26)9-11-24(12-10-22)16-18-7-6-8-19(27-4)21(18)28-14-13-23(2)3/h6-8H,5,9-17H2,1-4H3
InChIKeyNMDXVJOTLJEUFB-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.47
Rot. Bonds8

About 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70706140) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70706140
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(Cc3cccc(OC)c3OCCN(C)C)CC2)CC1=O
InChIInChI=1S/C22H35N3O3/c1-5-25-17-22(15-20(25)26)9-11-24(12-10-22)16-18-7-6-8-19(27-4)21(18)28-14-13-23(2)3/h6-8H,5,9-17H2,1-4H3
InChIKeyNMDXVJOTLJEUFB-UHFFFAOYSA-N
XLogP2.47
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
CID 77097842
9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706928
1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22682335
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
(6S)-6-benzyl-4-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 137338513
(2R)-2-[2-[(2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]propanoic acid
CID 97152498
3-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 56900212
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 98894470
(4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95730390
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632

Frequently Asked Questions

What is the IUPAC name of 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 70706140) is 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(Cc3cccc(OC)c3OCCN(C)C)CC2)CC1=O.
What is the InChIKey of 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NMDXVJOTLJEUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-5-25-17-22(15-20(25)26)9-11-24(12-10-22)16-18-7-6-8-19(27-4)21(18)28-14-13-23(2)3/h6-8H,5,9-17H2,1-4H3.
What are the key properties of 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 389.54 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70706140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).