tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate

C34H46N2O3Si — CID 10650482

IUPACtert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate
SMILESC=C[C@H](NCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H46N2O3Si/c1-9-30(35-25-27-19-13-10-14-20-27)31(36-32(37)38-33(3,4)5)26(2)39-40(34(6,7)8,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h9-24,26,30-31,35H,1,25H2,2-8H3,(H,36,37)/t26-,30+,31+/m1/s1
InChIKeyPYKZILNNOWZZNV-JZRGNDHQSA-N
MW558.84 g/mol
LogP6.19
Rot. Bonds11

About tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate

tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate (PubChem CID 10650482) has the molecular formula C34H46N2O3Si and a molecular weight of 558.84 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate
PubChem CID10650482
Molecular FormulaC34H46N2O3Si
Molecular Weight558.84 g/mol
Exact Mass558.33
IUPAC Nametert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate
SMILESC=C[C@H](NCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H46N2O3Si/c1-9-30(35-25-27-19-13-10-14-20-27)31(36-32(37)38-33(3,4)5)26(2)39-40(34(6,7)8,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h9-24,26,30-31,35H,1,25H2,2-8H3,(H,36,37)/t26-,30+,31+/m1/s1
InChIKeyPYKZILNNOWZZNV-JZRGNDHQSA-N
XLogP6.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.84
LogP ≤ 56.19
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,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl [(1R,2R)-2-(tert-butyldiphenylsilanyloxy)-1-(3,4,5-trifluorophenyl)propyl]carbamate
CID 68718850
[2-benzyl-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl] N-benzylcarbamate
CID 69176187
tert-butyl N-[2-[4-(benzhydrylamino)-3-fluorobutan-2-yl]oxyethyl]carbamate
CID 155680614
tert-butyl N-[(1S)-1-benzyl-3-[benzyl-[(3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-2-hydroxy-propyl]carbamate
CID 481905
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 (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,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate (CID 10650482) is tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate is C=C[C@H](NCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate?
The InChIKey is PYKZILNNOWZZNV-JZRGNDHQSA-N. The full InChI is InChI=1S/C34H46N2O3Si/c1-9-30(35-25-27-19-13-10-14-20-27)31(36-32(37)38-33(3,4)5)26(2)39-40(34(6,7)8,28-21-15-11-16-22-28)29-23-17-12-18-24-29/h9-24,26,30-31,35H,1,25H2,2-8H3,(H,36,37)/t26-,30+,31+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate?
tert-butyl N-[(2R,3R,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate has a molecular weight of 558.84 g/mol, XLogP of 6.19, 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,4S)-4-(benzylamino)-2-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-yl]carbamate is sourced from PubChem (CID 10650482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).