N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C22H31N3O5 — CID 24981906

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(CCN(C)C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1OC
InChIInChI=1S/C22H31N3O5/c1-15-7-5-6-11-22(15)20(27)25(21(28)23-22)14-19(26)24(2)12-10-16-8-9-17(29-3)18(13-16)30-4/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,23,28)
InChIKeyCSDZBEOCZOOVDE-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.21
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24981906) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24981906
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(CCN(C)C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1OC
InChIInChI=1S/C22H31N3O5/c1-15-7-5-6-11-22(15)20(27)25(21(28)23-22)14-19(26)24(2)12-10-16-8-9-17(29-3)18(13-16)30-4/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,23,28)
InChIKeyCSDZBEOCZOOVDE-UHFFFAOYSA-N
XLogP2.21
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24981906) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc(CCN(C)C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is CSDZBEOCZOOVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-15-7-5-6-11-22(15)20(27)25(21(28)23-22)14-19(26)24(2)12-10-16-8-9-17(29-3)18(13-16)30-4/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,23,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24981906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).