methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate

C12H25N3O6Si — CID 11990678

IUPACmethyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate
SMILESCCO[Si](CCCNC(=O)/N=N/C(=O)OC)(OCC)OCC
InChIInChI=1S/C12H25N3O6Si/c1-5-19-22(20-6-2,21-7-3)10-8-9-13-11(16)14-15-12(17)18-4/h5-10H2,1-4H3,(H,13,16)/b15-14+
InChIKeyKWKZEFXEGZVOHG-CCEZHUSRSA-N
MW335.43 g/mol
LogP2.35
Rot. Bonds10

About methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate

methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate (PubChem CID 11990678) has the molecular formula C12H25N3O6Si and a molecular weight of 335.43 g/mol. Its IUPAC name is methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate.

Molecular Properties

Compound Namemethyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate
PubChem CID11990678
Molecular FormulaC12H25N3O6Si
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Namemethyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate
SMILESCCO[Si](CCCNC(=O)/N=N/C(=O)OC)(OCC)OCC
InChIInChI=1S/C12H25N3O6Si/c1-5-19-22(20-6-2,21-7-3)10-8-9-13-11(16)14-15-12(17)18-4/h5-10H2,1-4H3,(H,13,16)/b15-14+
InChIKeyKWKZEFXEGZVOHG-CCEZHUSRSA-N
XLogP2.35
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate
CID 11990684
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
O-methyl N-(3-triethoxysilylpropyl)carbamothioate
CID 87560870
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
2,3-bis[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]butanedioic acid
CID 174032180
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922

Frequently Asked Questions

What is the IUPAC name of methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate?
The IUPAC name of methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate (CID 11990678) is methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate.
What is the SMILES notation for methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate?
The canonical SMILES for methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate is CCO[Si](CCCNC(=O)/N=N/C(=O)OC)(OCC)OCC.
What is the InChIKey of methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate?
The InChIKey is KWKZEFXEGZVOHG-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H25N3O6Si/c1-5-19-22(20-6-2,21-7-3)10-8-9-13-11(16)14-15-12(17)18-4/h5-10H2,1-4H3,(H,13,16)/b15-14+.
What are the key properties of methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate?
methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate has a molecular weight of 335.43 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate is sourced from PubChem (CID 11990678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).