ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate

C18H39N3O6Si2 — CID 11990684

IUPACethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate
SMILESCCCCO[Si](CCCNC(=O)/N=N/C(=O)OCC)(OCCCC)O[Si](C)(C)C
InChIInChI=1S/C18H39N3O6Si2/c1-7-10-14-25-29(26-15-11-8-2,27-28(4,5)6)16-12-13-19-17(22)20-21-18(23)24-9-3/h7-16H2,1-6H3,(H,19,22)/b21-20+
InChIKeyKBAAOZMWEMHDQQ-QZQOTICOSA-N
MW449.70 g/mol
LogP5.12
Rot. Bonds15

About ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate

ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate (PubChem CID 11990684) has the molecular formula C18H39N3O6Si2 and a molecular weight of 449.70 g/mol. Its IUPAC name is ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate.

Molecular Properties

Compound Nameethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate
PubChem CID11990684
Molecular FormulaC18H39N3O6Si2
Molecular Weight449.70 g/mol
Exact Mass449.24
IUPAC Nameethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate
SMILESCCCCO[Si](CCCNC(=O)/N=N/C(=O)OCC)(OCCCC)O[Si](C)(C)C
InChIInChI=1S/C18H39N3O6Si2/c1-7-10-14-25-29(26-15-11-8-2,27-28(4,5)6)16-12-13-19-17(22)20-21-18(23)24-9-3/h7-16H2,1-6H3,(H,19,22)/b21-20+
InChIKeyKBAAOZMWEMHDQQ-QZQOTICOSA-N
XLogP5.12
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.70
LogP ≤ 55.12
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'}

Analyze ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate 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

methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate
CID 11990678
1-pentyl-3-(pentylcarbamoylimino)urea
CID 175865906
hexyl N-ethoxycarbonyliminocarbamate
CID 140646328
N-methyl-3-tributoxysilylpropan-1-amine
CID 87391631
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
butyl-tris(trimethylsilyloxy)silane
CID 19881442
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
N-[3-[[dimethyl(propyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl]-2-methylprop-2-enamide
CID 54350346
silane;3-triethoxysilylpropylurea
CID 161180470
1,3-bis(4-tripropoxysilylbutyl)urea
CID 170548769

Frequently Asked Questions

What is the IUPAC name of ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate?
The IUPAC name of ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate (CID 11990684) is ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate.
What is the SMILES notation for ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate?
The canonical SMILES for ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate is CCCCO[Si](CCCNC(=O)/N=N/C(=O)OCC)(OCCCC)O[Si](C)(C)C.
What is the InChIKey of ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate?
The InChIKey is KBAAOZMWEMHDQQ-QZQOTICOSA-N. The full InChI is InChI=1S/C18H39N3O6Si2/c1-7-10-14-25-29(26-15-11-8-2,27-28(4,5)6)16-12-13-19-17(22)20-21-18(23)24-9-3/h7-16H2,1-6H3,(H,19,22)/b21-20+.
What are the key properties of ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate?
ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate has a molecular weight of 449.70 g/mol, XLogP of 5.12, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NE)-N-[3-[dibutoxy(trimethylsilyloxy)silyl]propylcarbamoylimino]carbamate is sourced from PubChem (CID 11990684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).