(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium

C21H31N2O4+ — CID 9235710

IUPAC(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CN2C(=O)CC3(CCCCC3)C2=O)cc1OC
InChIInChI=1S/C21H30N2O4/c1-4-27-17-9-8-16(12-18(17)26-3)14-22(2)15-23-19(24)13-21(20(23)25)10-6-5-7-11-21/h8-9,12H,4-7,10-11,13-15H2,1-3H3/p+1
InChIKeyWBMYRYNKQJAJSQ-UHFFFAOYSA-O
MW375.49 g/mol
LogP1.78
Rot. Bonds7

About (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium

(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium (PubChem CID 9235710) has the molecular formula C21H31N2O4+ and a molecular weight of 375.49 g/mol. Its IUPAC name is (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
PubChem CID9235710
Molecular FormulaC21H31N2O4+
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)CN2C(=O)CC3(CCCCC3)C2=O)cc1OC
InChIInChI=1S/C21H30N2O4/c1-4-27-17-9-8-16(12-18(17)26-3)14-22(2)15-23-19(24)13-21(20(23)25)10-6-5-7-11-21/h8-9,12H,4-7,10-11,13-15H2,1-3H3/p+1
InChIKeyWBMYRYNKQJAJSQ-UHFFFAOYSA-O
XLogP1.78
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]azanium
CID 7480223
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-azaspiro[4.5]decane-1,3-dione
CID 47011702
2-[(3-bromo-4-methoxyphenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17477501
(5-bromo-2-methoxyphenyl)methyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-methylazanium
CID 2575587
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8694839
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498
2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9206482
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium
CID 8694817
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2656813
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365376
(3aR,7aR)-2-[(3-ethoxy-4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 96564616
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2495726

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium (CID 9235710) is (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium is CCOc1ccc(C[NH+](C)CN2C(=O)CC3(CCCCC3)C2=O)cc1OC.
What is the InChIKey of (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium?
The InChIKey is WBMYRYNKQJAJSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H30N2O4/c1-4-27-17-9-8-16(12-18(17)26-3)14-22(2)15-23-19(24)13-21(20(23)25)10-6-5-7-11-21/h8-9,12H,4-7,10-11,13-15H2,1-3H3/p+1.
What are the key properties of (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium?
(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium has a molecular weight of 375.49 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9235710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).