N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide

C30H32N2O5 — CID 15714307

IUPACN-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C30H32N2O5/c1-21-28(25-16-10-5-11-17-25)37-30(36)32(21)29(35)26(18-23-12-6-3-7-13-23)27(34)20-31(22(2)33)19-24-14-8-4-9-15-24/h3-17,21,26-28,34H,18-20H2,1-2H3/t21-,26+,27+,28-/m1/s1
InChIKeyDGIZKYQGFXPXMA-OZBXUNDUSA-N
MW500.60 g/mol
LogP4.36
Rot. Bonds9

About N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide

N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide (PubChem CID 15714307) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide
PubChem CID15714307
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC NameN-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C30H32N2O5/c1-21-28(25-16-10-5-11-17-25)37-30(36)32(21)29(35)26(18-23-12-6-3-7-13-23)27(34)20-31(22(2)33)19-24-14-8-4-9-15-24/h3-17,21,26-28,34H,18-20H2,1-2H3/t21-,26+,27+,28-/m1/s1
InChIKeyDGIZKYQGFXPXMA-OZBXUNDUSA-N
XLogP4.36
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide?
The IUPAC name of N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide (CID 15714307) is N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide?
The canonical SMILES for N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide is CC(=O)N(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide?
The InChIKey is DGIZKYQGFXPXMA-OZBXUNDUSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-21-28(25-16-10-5-11-17-25)37-30(36)32(21)29(35)26(18-23-12-6-3-7-13-23)27(34)20-31(22(2)33)19-24-14-8-4-9-15-24/h3-17,21,26-28,34H,18-20H2,1-2H3/t21-,26+,27+,28-/m1/s1.
What are the key properties of N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide?
N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide has a molecular weight of 500.60 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R,3S)-3-benzyl-2-hydroxy-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutyl]acetamide is sourced from PubChem (CID 15714307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).