tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate

C35H56N2O4Si2 — CID 122400203

IUPACtert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C35H56N2O4Si2/c1-33(2,3)40-32(38)36-29(25-39-42(10,11)34(4,5)6)31(41-43(12,13)35(7,8)9)28-24-37(23-26-19-15-14-16-20-26)30-22-18-17-21-27(28)30/h14-22,24,29,31H,23,25H2,1-13H3,(H,36,38)/t29-,31-/m1/s1
InChIKeyVCIHRPNIKPAXKL-BVRKHOPBSA-N
MW625.02 g/mol
LogP9.67
Rot. Bonds10

About tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate

tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate (PubChem CID 122400203) has the molecular formula C35H56N2O4Si2 and a molecular weight of 625.02 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate
PubChem CID122400203
Molecular FormulaC35H56N2O4Si2
Molecular Weight625.02 g/mol
Exact Mass624.38
IUPAC Nametert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C35H56N2O4Si2/c1-33(2,3)40-32(38)36-29(25-39-42(10,11)34(4,5)6)31(41-43(12,13)35(7,8)9)28-24-37(23-26-19-15-14-16-20-26)30-22-18-17-21-27(28)30/h14-22,24,29,31H,23,25H2,1-13H3,(H,36,38)/t29-,31-/m1/s1
InChIKeyVCIHRPNIKPAXKL-BVRKHOPBSA-N
XLogP9.67
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.02
LogP ≤ 59.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-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

3-(1-benzylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20780794
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
2-[1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]cyclopropane-1-carboxylic acid
CID 70067902
prop-2-enyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[1-(2-methylbut-3-en-2-yl)indol-3-yl]propan-2-yl]carbamate
CID 138969607
tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 101391393
tert-butyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyphenyl)ethyl]carbamate
CID 170552704
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyphenyl)ethyl]carbamate
CID 171372732
3-[1-[(4-tert-butylphenyl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23148255
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
benzyl (2S,3S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 10575644
ethyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate
CID 11419586
benzyl N-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 140747567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate (CID 122400203) is tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate?
The InChIKey is VCIHRPNIKPAXKL-BVRKHOPBSA-N. The full InChI is InChI=1S/C35H56N2O4Si2/c1-33(2,3)40-32(38)36-29(25-39-42(10,11)34(4,5)6)31(41-43(12,13)35(7,8)9)28-24-37(23-26-19-15-14-16-20-26)30-22-18-17-21-27(28)30/h14-22,24,29,31H,23,25H2,1-13H3,(H,36,38)/t29-,31-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate?
tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate has a molecular weight of 625.02 g/mol, XLogP of 9.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-(1-benzylindol-3-yl)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yl]carbamate is sourced from PubChem (CID 122400203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).