[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate

C17H36N2O6Si — CID 59582714

IUPAC[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCCC(=O)NC(C)CC)(OCC)OCC
InChIInChI=1S/C17H36N2O6Si/c1-6-15(5)19-16(20)11-13-22-17(21)18-12-10-14-26(23-7-2,24-8-3)25-9-4/h15H,6-14H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyCHFNOXQNBYZUIE-UHFFFAOYSA-N
MW392.57 g/mol
LogP2.46
Rot. Bonds15

About [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate

[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate (PubChem CID 59582714) has the molecular formula C17H36N2O6Si and a molecular weight of 392.57 g/mol. Its IUPAC name is [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
PubChem CID59582714
Molecular FormulaC17H36N2O6Si
Molecular Weight392.57 g/mol
Exact Mass392.23
IUPAC Name[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OCCC(=O)NC(C)CC)(OCC)OCC
InChIInChI=1S/C17H36N2O6Si/c1-6-15(5)19-16(20)11-13-22-17(21)18-12-10-14-26(23-7-2,24-8-3)25-9-4/h15H,6-14H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyCHFNOXQNBYZUIE-UHFFFAOYSA-N
XLogP2.46
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate (CID 59582714) is [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OCCC(=O)NC(C)CC)(OCC)OCC.
What is the InChIKey of [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is CHFNOXQNBYZUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O6Si/c1-6-15(5)19-16(20)11-13-22-17(21)18-12-10-14-26(23-7-2,24-8-3)25-9-4/h15H,6-14H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate?
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 392.57 g/mol, XLogP of 2.46, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 59582714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).