tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate

C29H46N2O3Si — CID 58007047

IUPACtert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate
SMILESCC(C)NCC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H46N2O3Si/c1-23(2)30-21-20-24(22-31(9)27(32)33-28(3,4)5)34-35(29(6,7)8,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,23-24,30H,20-22H2,1-9H3/t24-/m0/s1
InChIKeyGODUMLFTARNSRR-DEOSSOPVSA-N
MW498.78 g/mol
LogP5.19
Rot. Bonds10

About tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate

tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate (PubChem CID 58007047) has the molecular formula C29H46N2O3Si and a molecular weight of 498.78 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate
PubChem CID58007047
Molecular FormulaC29H46N2O3Si
Molecular Weight498.78 g/mol
Exact Mass498.33
IUPAC Nametert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate
SMILESCC(C)NCC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H46N2O3Si/c1-23(2)30-21-20-24(22-31(9)27(32)33-28(3,4)5)34-35(29(6,7)8,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,23-24,30H,20-22H2,1-9H3/t24-/m0/s1
InChIKeyGODUMLFTARNSRR-DEOSSOPVSA-N
XLogP5.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.78
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate (CID 58007047) is tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate is CC(C)NCC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate?
The InChIKey is GODUMLFTARNSRR-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H46N2O3Si/c1-23(2)30-21-20-24(22-31(9)27(32)33-28(3,4)5)34-35(29(6,7)8,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,23-24,30H,20-22H2,1-9H3/t24-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate?
tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate has a molecular weight of 498.78 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate is sourced from PubChem (CID 58007047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).