[tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate

C41H60N2O5Si2 — CID 90837885

IUPAC[tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate
SMILESC=CCOC1CC(NC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2ccccc2)NC(=O)O[Si](C)(C)C(C)(C)C)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C41H60N2O5Si2/c1-12-25-45-37-28-35(34-27-32(23-24-33(34)37)46-31-21-17-14-18-22-31)42-29-38(47-49(8,9)40(2,3)4)36(26-30-19-15-13-16-20-30)43-39(44)48-50(10,11)41(5,6)7/h12-24,27,35-38,42H,1,25-26,28-29H2,2-11H3,(H,43,44)/t35?,36-,37?,38+/m0/s1
InChIKeyGSZDZCZZCRSKPW-TZSMRJIRSA-N
MW717.11 g/mol
LogP10.49
Rot. Bonds15

About [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate

[tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate (PubChem CID 90837885) has the molecular formula C41H60N2O5Si2 and a molecular weight of 717.11 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate
PubChem CID90837885
Molecular FormulaC41H60N2O5Si2
Molecular Weight717.11 g/mol
Exact Mass716.40
IUPAC Name[tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate
SMILESC=CCOC1CC(NC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2ccccc2)NC(=O)O[Si](C)(C)C(C)(C)C)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C41H60N2O5Si2/c1-12-25-45-37-28-35(34-27-32(23-24-33(34)37)46-31-21-17-14-18-22-31)42-29-38(47-49(8,9)40(2,3)4)36(26-30-19-15-13-16-20-30)43-39(44)48-50(10,11)41(5,6)7/h12-24,27,35-38,42H,1,25-26,28-29H2,2-11H3,(H,43,44)/t35?,36-,37?,38+/m0/s1
InChIKeyGSZDZCZZCRSKPW-TZSMRJIRSA-N
XLogP10.49
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.11
LogP ≤ 510.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate?
The IUPAC name of [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate (CID 90837885) is [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate is C=CCOC1CC(NC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2ccccc2)NC(=O)O[Si](C)(C)C(C)(C)C)c2cc(Oc3ccccc3)ccc21.
What is the InChIKey of [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate?
The InChIKey is GSZDZCZZCRSKPW-TZSMRJIRSA-N. The full InChI is InChI=1S/C41H60N2O5Si2/c1-12-25-45-37-28-35(34-27-32(23-24-33(34)37)46-31-21-17-14-18-22-31)42-29-38(47-49(8,9)40(2,3)4)36(26-30-19-15-13-16-20-30)43-39(44)48-50(10,11)41(5,6)7/h12-24,27,35-38,42H,1,25-26,28-29H2,2-11H3,(H,43,44)/t35?,36-,37?,38+/m0/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate?
[tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate has a molecular weight of 717.11 g/mol, XLogP of 10.49, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(6-phenoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 90837885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).