tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate

C33H41NO7 — CID 164667495

IUPACtert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate
SMILESCOC1OC(CNC(=O)OC(C)(C)C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C33H41NO7/c1-33(2,3)41-32(35)34-20-27-28(37-21-24-14-8-5-9-15-24)29(38-22-25-16-10-6-11-17-25)30(31(36-4)40-27)39-23-26-18-12-7-13-19-26/h5-19,27-31H,20-23H2,1-4H3,(H,34,35)
InChIKeyRBVWCJXIHMNGAJ-UHFFFAOYSA-N
MW563.69 g/mol
LogP5.64
Rot. Bonds12

About tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate

tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate (PubChem CID 164667495) has the molecular formula C33H41NO7 and a molecular weight of 563.69 g/mol. Its IUPAC name is tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate
PubChem CID164667495
Molecular FormulaC33H41NO7
Molecular Weight563.69 g/mol
Exact Mass563.29
IUPAC Nametert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate
SMILESCOC1OC(CNC(=O)OC(C)(C)C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C33H41NO7/c1-33(2,3)41-32(35)34-20-27-28(37-21-24-14-8-5-9-15-24)29(38-22-25-16-10-6-11-17-25)30(31(36-4)40-27)39-23-26-18-12-7-13-19-26/h5-19,27-31H,20-23H2,1-4H3,(H,34,35)
InChIKeyRBVWCJXIHMNGAJ-UHFFFAOYSA-N
XLogP5.64
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.69
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate (CID 164667495) is tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate is COC1OC(CNC(=O)OC(C)(C)C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate?
The InChIKey is RBVWCJXIHMNGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41NO7/c1-33(2,3)41-32(35)34-20-27-28(37-21-24-14-8-5-9-15-24)29(38-22-25-16-10-6-11-17-25)30(31(36-4)40-27)39-23-26-18-12-7-13-19-26/h5-19,27-31H,20-23H2,1-4H3,(H,34,35).
What are the key properties of tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate?
tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate has a molecular weight of 563.69 g/mol, XLogP of 5.64, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]carbamate is sourced from PubChem (CID 164667495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).