tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate

C33H44N2O3Si — CID 10721260

IUPACtert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
SMILESC=C[C@@H](NCc1ccccc1)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C33H44N2O3Si/c1-8-29(34-24-26-18-12-9-13-19-26)30(35-31(36)38-32(2,3)4)25-37-39(33(5,6)7,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h8-23,29-30,34H,1,24-25H2,2-7H3,(H,35,36)/t29-,30+/m1/s1
InChIKeyLLSUJPUYVYCJNL-IHLOFXLRSA-N
MW544.81 g/mol
LogP5.80
Rot. Bonds11

About tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate

tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate (PubChem CID 10721260) has the molecular formula C33H44N2O3Si and a molecular weight of 544.81 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
PubChem CID10721260
Molecular FormulaC33H44N2O3Si
Molecular Weight544.81 g/mol
Exact Mass544.31
IUPAC Nametert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
SMILESC=C[C@@H](NCc1ccccc1)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C33H44N2O3Si/c1-8-29(34-24-26-18-12-9-13-19-26)30(35-31(36)38-32(2,3)4)25-37-39(33(5,6)7,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h8-23,29-30,34H,1,24-25H2,2-7H3,(H,35,36)/t29-,30+/m1/s1
InChIKeyLLSUJPUYVYCJNL-IHLOFXLRSA-N
XLogP5.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.81
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl [(1R,2R)-2-(tert-butyldiphenylsilanyloxy)-1-(3,4,5-trifluorophenyl)propyl]carbamate
CID 68718850
tert-butyl N-[2-[4-(benzhydrylamino)-3-fluoro-2-methylbutan-2-yl]oxyethyl]carbamate
CID 155680553
methyl (3R,4R)-3-[benzyl-[tert-butyl(dimethyl)silyl]oxyamino]-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10580726
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
CID 10886125
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-yn-2-yl]carbamate
CID 11802143
tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate
CID 15313504
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]prop-2-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 15441173
(Z)-N-[(2R,3R)-2-(tert-Butoxycarbonylamino)-3-(tert-butyldiphenylsilyloxy)butylidene]benzylamine N-oxide
CID 15441178
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985157
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]ethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985158
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]prop-2-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985159

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate (CID 10721260) is tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate is C=C[C@@H](NCc1ccccc1)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
The InChIKey is LLSUJPUYVYCJNL-IHLOFXLRSA-N. The full InChI is InChI=1S/C33H44N2O3Si/c1-8-29(34-24-26-18-12-9-13-19-26)30(35-31(36)38-32(2,3)4)25-37-39(33(5,6)7,27-20-14-10-15-21-27)28-22-16-11-17-23-28/h8-23,29-30,34H,1,24-25H2,2-7H3,(H,35,36)/t29-,30+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate?
tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate has a molecular weight of 544.81 g/mol, XLogP of 5.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R)-3-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate is sourced from PubChem (CID 10721260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).