3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C19H26ClN3O3 — CID 9460374

IUPAC3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCN(CCOc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C19H26ClN3O3/c1-22(12-13-26-16-8-6-15(20)7-9-16)14-23-17(24)19(21-18(23)25)10-4-2-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,21,25)
InChIKeyOKXOLJVPUPHMII-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.25
Rot. Bonds6

About 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 9460374) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID9460374
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCN(CCOc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C19H26ClN3O3/c1-22(12-13-26-16-8-6-15(20)7-9-16)14-23-17(24)19(21-18(23)25)10-4-2-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,21,25)
InChIKeyOKXOLJVPUPHMII-UHFFFAOYSA-N
XLogP3.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2575624
N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 17485630
3-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9325448
5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione
CID 42998311
4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 47094628
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 42998312
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
tert-butyl 3-[[methyl(2-phenoxyethyl)amino]methyl]-2,4-dioxo-1,3,9-triazaspiro[4.5]decane-9-carboxylate
CID 154838787
[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55401368
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
3-[3-(4-aminophenoxy)propyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94755473

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 9460374) is 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CN(CCOc1ccc(Cl)cc1)CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is OKXOLJVPUPHMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-22(12-13-26-16-8-6-15(20)7-9-16)14-23-17(24)19(21-18(23)25)10-4-2-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,21,25).
What are the key properties of 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 379.89 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 9460374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).