tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate

C30H34N2O4 — CID 151607579

IUPACtert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](C#N)COCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34N2O4/c1-29(2,3)36-28(33)32-22-24(21-31)23-34-19-20-35-30(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-20,22-23H2,1-3H3,(H,32,33)/t24-/m0/s1
InChIKeyQLUNZHNHOHEOKH-DEOSSOPVSA-N
MW486.61 g/mol
LogP5.68
Rot. Bonds11

About tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate

tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate (PubChem CID 151607579) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate
PubChem CID151607579
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Nametert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](C#N)COCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34N2O4/c1-29(2,3)36-28(33)32-22-24(21-31)23-34-19-20-35-30(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-20,22-23H2,1-3H3,(H,32,33)/t24-/m0/s1
InChIKeyQLUNZHNHOHEOKH-DEOSSOPVSA-N
XLogP5.68
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-amino-3-trityloxypropanoate
CID 68760349
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CID 59463762
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
CID 103389357
tert-butyl N-[2-[2-[2-[2-[4-(benzhydrylamino)-3-fluoro-2-methylbutan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
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tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl N-[4-(2-nitro-1,1-diphenylethoxy)butyl]carbamate
CID 155613187
benzyl N-[2-fluoro-3-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]butyl]carbamate
CID 138695393
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
CID 67590944
tert-butyl N-[2-[(2-cyanophenyl)methylamino]propyl]carbamate
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tert-butyl N-[(1S)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 90203735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate (CID 151607579) is tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate is CC(C)(C)OC(=O)NC[C@H](C#N)COCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate?
The InChIKey is QLUNZHNHOHEOKH-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-29(2,3)36-28(33)32-22-24(21-31)23-34-19-20-35-30(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24H,19-20,22-23H2,1-3H3,(H,32,33)/t24-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate?
tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate has a molecular weight of 486.61 g/mol, XLogP of 5.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-cyano-3-(2-trityloxyethoxy)propyl]carbamate is sourced from PubChem (CID 151607579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).