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

C27H39F3N2O3Si — CID 163278252

IUPACtert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CNC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C27H39F3N2O3Si/c1-25(2,3)35-24(33)31-20-23(27(28,29)30)32(7)18-19-34-36(26(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,23H,18-20H2,1-7H3,(H,31,33)
InChIKeyDNKDZGLORFWXQD-UHFFFAOYSA-N
MW524.70 g/mol
LogP4.95
Rot. Bonds9

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

tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate (PubChem CID 163278252) has the molecular formula C27H39F3N2O3Si and a molecular weight of 524.70 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate
PubChem CID163278252
Molecular FormulaC27H39F3N2O3Si
Molecular Weight524.70 g/mol
Exact Mass524.27
IUPAC Nametert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CNC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C27H39F3N2O3Si/c1-25(2,3)35-24(33)31-20-23(27(28,29)30)32(7)18-19-34-36(26(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,23H,18-20H2,1-7H3,(H,31,33)
InChIKeyDNKDZGLORFWXQD-UHFFFAOYSA-N
XLogP4.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.70
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate 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 tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate (CID 163278252) is tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate is CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CNC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate?
The InChIKey is DNKDZGLORFWXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39F3N2O3Si/c1-25(2,3)35-24(33)31-20-23(27(28,29)30)32(7)18-19-34-36(26(4,5)6,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,23H,18-20H2,1-7H3,(H,31,33).
What are the key properties of tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate?
tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate has a molecular weight of 524.70 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate is sourced from PubChem (CID 163278252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).