benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate

C36H36N2O5 — CID 11827968

IUPACbenzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate
SMILESCC(C)[C@@H]1N(C(=O)[C@@H](CNC(=O)OCc2ccccc2)Cc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H36N2O5/c1-26(2)32-36(30-19-11-5-12-20-30,31-21-13-6-14-22-31)43-35(41)38(32)33(39)29(23-27-15-7-3-8-16-27)24-37-34(40)42-25-28-17-9-4-10-18-28/h3-22,26,29,32H,23-25H2,1-2H3,(H,37,40)/t29-,32+/m1/s1
InChIKeyZLCQNQACDGAAJE-PPTMTGTBSA-N
MW576.69 g/mol
LogP6.72
Rot. Bonds10

About benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate

benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate (PubChem CID 11827968) has the molecular formula C36H36N2O5 and a molecular weight of 576.69 g/mol. Its IUPAC name is benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate
PubChem CID11827968
Molecular FormulaC36H36N2O5
Molecular Weight576.69 g/mol
Exact Mass576.26
IUPAC Namebenzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate
SMILESCC(C)[C@@H]1N(C(=O)[C@@H](CNC(=O)OCc2ccccc2)Cc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H36N2O5/c1-26(2)32-36(30-19-11-5-12-20-30,31-21-13-6-14-22-31)43-35(41)38(32)33(39)29(23-27-15-7-3-8-16-27)24-37-34(40)42-25-28-17-9-4-10-18-28/h3-22,26,29,32H,23-25H2,1-2H3,(H,37,40)/t29-,32+/m1/s1
InChIKeyZLCQNQACDGAAJE-PPTMTGTBSA-N
XLogP6.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.69
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate (CID 11827968) is benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate is CC(C)[C@@H]1N(C(=O)[C@@H](CNC(=O)OCc2ccccc2)Cc2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate?
The InChIKey is ZLCQNQACDGAAJE-PPTMTGTBSA-N. The full InChI is InChI=1S/C36H36N2O5/c1-26(2)32-36(30-19-11-5-12-20-30,31-21-13-6-14-22-31)43-35(41)38(32)33(39)29(23-27-15-7-3-8-16-27)24-37-34(40)42-25-28-17-9-4-10-18-28/h3-22,26,29,32H,23-25H2,1-2H3,(H,37,40)/t29-,32+/m1/s1.
What are the key properties of benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate?
benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate has a molecular weight of 576.69 g/mol, XLogP of 6.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-benzyl-3-oxo-3-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate is sourced from PubChem (CID 11827968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).