1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one

C24H50N2O3Si — CID 123819213

IUPAC1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one
SMILESCOC(OC)[SiH2]CCCN1CCCCCCCCCCCCCCCCCNC1=O
InChIInChI=1S/C24H50N2O3Si/c1-28-24(29-2)30-22-18-21-26-20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-25-23(26)27/h24H,3-22,30H2,1-2H3,(H,25,27)
InChIKeyUBJRGGXZWNKLKS-UHFFFAOYSA-N
MW442.76 g/mol
LogP5.42
Rot. Bonds7

About 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one

1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one (PubChem CID 123819213) has the molecular formula C24H50N2O3Si and a molecular weight of 442.76 g/mol. Its IUPAC name is 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one.

Molecular Properties

Compound Name1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one
PubChem CID123819213
Molecular FormulaC24H50N2O3Si
Molecular Weight442.76 g/mol
Exact Mass442.36
IUPAC Name1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one
SMILESCOC(OC)[SiH2]CCCN1CCCCCCCCCCCCCCCCCNC1=O
InChIInChI=1S/C24H50N2O3Si/c1-28-24(29-2)30-22-18-21-26-20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-25-23(26)27/h24H,3-22,30H2,1-2H3,(H,25,27)
InChIKeyUBJRGGXZWNKLKS-UHFFFAOYSA-N
XLogP5.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.76
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one 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 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one?
The IUPAC name of 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one (CID 123819213) is 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one.
What is the SMILES notation for 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one?
The canonical SMILES for 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one is COC(OC)[SiH2]CCCN1CCCCCCCCCCCCCCCCCNC1=O.
What is the InChIKey of 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one?
The InChIKey is UBJRGGXZWNKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O3Si/c1-28-24(29-2)30-22-18-21-26-20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-25-23(26)27/h24H,3-22,30H2,1-2H3,(H,25,27).
What are the key properties of 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one?
1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one has a molecular weight of 442.76 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethoxymethylsilyl)propyl]-1,3-diazacycloicosan-2-one is sourced from PubChem (CID 123819213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).