(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium

C21H32N3O4+ — CID 7480223

IUPAC(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
SMILESCCOc1ccc(C[NH+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC
InChIInChI=1S/C21H31N3O4/c1-5-28-17-7-6-16(12-18(17)27-4)13-23(3)14-24-19(25)21(22-20(24)26)10-8-15(2)9-11-21/h6-7,12,15H,5,8-11,13-14H2,1-4H3,(H,22,26)/p+1
InChIKeyHCUIRHFDALMSCZ-UHFFFAOYSA-O
MW390.50 g/mol
LogP1.57
Rot. Bonds7

About (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium

(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium (PubChem CID 7480223) has the molecular formula C21H32N3O4+ and a molecular weight of 390.50 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
PubChem CID7480223
Molecular FormulaC21H32N3O4+
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC Name(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
SMILESCCOc1ccc(C[NH+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC
InChIInChI=1S/C21H31N3O4/c1-5-28-17-7-6-16(12-18(17)27-4)13-23(3)14-24-19(25)21(22-20(24)26)10-8-15(2)9-11-21/h6-7,12,15H,5,8-11,13-14H2,1-4H3,(H,22,26)/p+1
InChIKeyHCUIRHFDALMSCZ-UHFFFAOYSA-O
XLogP1.57
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 9235710
3-[(2,5-dimethoxyphenyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9401459
(5-chlorothiophen-2-yl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 9171796
(5-bromo-2-methoxyphenyl)methyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-methylazanium
CID 2575587
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46608301
3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 27082474
methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium
CID 9321921
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46475593
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46420020
3-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9320266
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium (CID 7480223) is (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium is CCOc1ccc(C[NH+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium?
The InChIKey is HCUIRHFDALMSCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H31N3O4/c1-5-28-17-7-6-16(12-18(17)27-4)13-23(3)14-24-19(25)21(22-20(24)26)10-8-15(2)9-11-21/h6-7,12,15H,5,8-11,13-14H2,1-4H3,(H,22,26)/p+1.
What are the key properties of (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium?
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium has a molecular weight of 390.50 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium is sourced from PubChem (CID 7480223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).