[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate

C24H33F3N2O3Si — CID 174155718

IUPAC[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate
SMILESCN(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(COC(N)=O)C(F)(F)F
InChIInChI=1S/C24H33F3N2O3Si/c1-23(2,3)33(19-12-7-5-8-13-19,20-14-9-6-10-15-20)32-17-11-16-29(4)21(24(25,26)27)18-31-22(28)30/h5-10,12-15,21H,11,16-18H2,1-4H3,(H2,28,30)
InChIKeyZUOOOQSPWFNERQ-UHFFFAOYSA-N
MW482.62 g/mol
LogP3.91
Rot. Bonds10

About [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate

[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate (PubChem CID 174155718) has the molecular formula C24H33F3N2O3Si and a molecular weight of 482.62 g/mol. Its IUPAC name is [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate.

Molecular Properties

Compound Name[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate
PubChem CID174155718
Molecular FormulaC24H33F3N2O3Si
Molecular Weight482.62 g/mol
Exact Mass482.22
IUPAC Name[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate
SMILESCN(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(COC(N)=O)C(F)(F)F
InChIInChI=1S/C24H33F3N2O3Si/c1-23(2,3)33(19-12-7-5-8-13-19,20-14-9-6-10-15-20)32-17-11-16-29(4)21(24(25,26)27)18-31-22(28)30/h5-10,12-15,21H,11,16-18H2,1-4H3,(H2,28,30)
InChIKeyZUOOOQSPWFNERQ-UHFFFAOYSA-N
XLogP3.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate?
The IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate (CID 174155718) is [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate.
What is the SMILES notation for [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate?
The canonical SMILES for [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate is CN(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(COC(N)=O)C(F)(F)F.
What is the InChIKey of [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate?
The InChIKey is ZUOOOQSPWFNERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N2O3Si/c1-23(2,3)33(19-12-7-5-8-13-19,20-14-9-6-10-15-20)32-17-11-16-29(4)21(24(25,26)27)18-31-22(28)30/h5-10,12-15,21H,11,16-18H2,1-4H3,(H2,28,30).
What are the key properties of [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate?
[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate has a molecular weight of 482.62 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl] carbamate is sourced from PubChem (CID 174155718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).