benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate

C34H44N2O6Si — CID 135070516

IUPACbenzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate
SMILESCON(C)C(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OCc1ccccc1
InChIInChI=1S/C34H44N2O6Si/c1-34(2,3)43(30-20-11-7-12-21-30,31-22-13-8-14-23-31)42-26-29(19-15-16-24-32(38)35(4)40-5)36(27-37)33(39)41-25-28-17-9-6-10-18-28/h6-14,17-18,20-23,27,29H,15-16,19,24-26H2,1-5H3
InChIKeyJAZRDPZTDFRFQL-UHFFFAOYSA-N
MW604.82 g/mol
LogP5.31
Rot. Bonds15

About benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate

benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate (PubChem CID 135070516) has the molecular formula C34H44N2O6Si and a molecular weight of 604.82 g/mol. Its IUPAC name is benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate
PubChem CID135070516
Molecular FormulaC34H44N2O6Si
Molecular Weight604.82 g/mol
Exact Mass604.30
IUPAC Namebenzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate
SMILESCON(C)C(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OCc1ccccc1
InChIInChI=1S/C34H44N2O6Si/c1-34(2,3)43(30-20-11-7-12-21-30,31-22-13-8-14-23-31)42-26-29(19-15-16-24-32(38)35(4)40-5)36(27-37)33(39)41-25-28-17-9-6-10-18-28/h6-14,17-18,20-23,27,29H,15-16,19,24-26H2,1-5H3
InChIKeyJAZRDPZTDFRFQL-UHFFFAOYSA-N
XLogP5.31
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.82
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate?
The IUPAC name of benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate (CID 135070516) is benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate.
What is the SMILES notation for benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate?
The canonical SMILES for benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate is CON(C)C(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate?
The InChIKey is JAZRDPZTDFRFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O6Si/c1-34(2,3)43(30-20-11-7-12-21-30,31-22-13-8-14-23-31)42-26-29(19-15-16-24-32(38)35(4)40-5)36(27-37)33(39)41-25-28-17-9-6-10-18-28/h6-14,17-18,20-23,27,29H,15-16,19,24-26H2,1-5H3.
What are the key properties of benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate?
benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate has a molecular weight of 604.82 g/mol, XLogP of 5.31, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-7-[methoxy(methyl)amino]-7-oxoheptan-2-yl]-N-formylcarbamate is sourced from PubChem (CID 135070516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).