3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C20H26N2O5 — CID 17470835

IUPAC3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C20H26N2O5/c1-4-13-7-9-20(10-8-13)18(24)22(19(25)21-20)12-15(23)14-5-6-16(26-2)17(11-14)27-3/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,25)
InChIKeyFCSQWNFGOCMBHI-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.78
Rot. Bonds6

About 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 17470835) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID17470835
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(OC)c(OC)c1)C2=O
InChIInChI=1S/C20H26N2O5/c1-4-13-7-9-20(10-8-13)18(24)22(19(25)21-20)12-15(23)14-5-6-16(26-2)17(11-14)27-3/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,25)
InChIKeyFCSQWNFGOCMBHI-UHFFFAOYSA-N
XLogP2.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55311750
3-[2-(4-bromophenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264317
3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180964
(4-methoxy-2-nitrophenyl) 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55340769
3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18075337
N-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]hexanamide
CID 7180897
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2078054
(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570
dimethyl 5-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 2443504
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094308
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 17470835) is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(OC)c(OC)c1)C2=O.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FCSQWNFGOCMBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-4-13-7-9-20(10-8-13)18(24)22(19(25)21-20)12-15(23)14-5-6-16(26-2)17(11-14)27-3/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,25).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 17470835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).