[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C22H28ClN3O6 — CID 55401368

IUPAC[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(C)CCOc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C22H28ClN3O6/c1-15-7-9-22(10-8-15)20(29)26(21(30)24-22)13-19(28)32-14-18(27)25(2)11-12-31-17-5-3-16(23)4-6-17/h3-6,15H,7-14H2,1-2H3,(H,24,30)
InChIKeyCIZKWLCRVAKUGS-UHFFFAOYSA-N
MW465.93 g/mol
LogP2.22
Rot. Bonds8

About [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55401368) has the molecular formula C22H28ClN3O6 and a molecular weight of 465.93 g/mol. Its IUPAC name is [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55401368
Molecular FormulaC22H28ClN3O6
Molecular Weight465.93 g/mol
Exact Mass465.17
IUPAC Name[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(C)CCOc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C22H28ClN3O6/c1-15-7-9-22(10-8-15)20(29)26(21(30)24-22)13-19(28)32-14-18(27)25(2)11-12-31-17-5-3-16(23)4-6-17/h3-6,15H,7-14H2,1-2H3,(H,24,30)
InChIKeyCIZKWLCRVAKUGS-UHFFFAOYSA-N
XLogP2.22
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.93
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 17485630
2-(4-bromophenoxy)ethyl 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47093906
2-(4-chlorophenoxy)ethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651672
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170093
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786204
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2575624
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9460374
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 43035395
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55311775
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24520498
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821480

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [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) is [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(C)CCOc1ccc(Cl)cc1)C2=O.
What is the InChIKey of [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is CIZKWLCRVAKUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O6/c1-15-7-9-22(10-8-15)20(29)26(21(30)24-22)13-19(28)32-14-18(27)25(2)11-12-31-17-5-3-16(23)4-6-17/h3-6,15H,7-14H2,1-2H3,(H,24,30).
What are the key properties of [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 465.93 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55401368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).