tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate

C33H38N2O6 — CID 22842640

IUPACtert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C33H38N2O6/c1-33(2,3)41-31(38)34(21-26-17-11-6-12-18-26)22-29(36)28(20-25-15-9-5-10-16-25)30(37)35-27(23-40-32(35)39)19-24-13-7-4-8-14-24/h4-18,27-29,36H,19-23H2,1-3H3/t27-,28+,29+/m1/s1
InChIKeyUUQMVALTPCCIFJ-ULNSLHSMSA-N
MW558.68 g/mol
LogP5.23
Rot. Bonds10

About tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate

tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate (PubChem CID 22842640) has the molecular formula C33H38N2O6 and a molecular weight of 558.68 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate
PubChem CID22842640
Molecular FormulaC33H38N2O6
Molecular Weight558.68 g/mol
Exact Mass558.27
IUPAC Nametert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C33H38N2O6/c1-33(2,3)41-31(38)34(21-26-17-11-6-12-18-26)22-29(36)28(20-25-15-9-5-10-16-25)30(37)35-27(23-40-32(35)39)19-24-13-7-4-8-14-24/h4-18,27-29,36H,19-23H2,1-3H3/t27-,28+,29+/m1/s1
InChIKeyUUQMVALTPCCIFJ-ULNSLHSMSA-N
XLogP5.23
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
(2R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-tert-butyl-4-oxobutanoic acid
CID 175148741
tert-butyl N-[(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 134984153
(4R)-4-benzyl-3-[(2S,3S)-2-benzyl-4-(benzylamino)-3-hydroxybutanoyl]-1,3-oxazolidin-2-one
CID 67877117
(4R)-4-benzyl-3-[(2S,3R)-2-benzyl-4-(benzylamino)-3-hydroxybutanoyl]-1,3-oxazolidin-2-one;hydrochloride
CID 67914935
tert-butyl 2-[4-[(2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-3-oxopropyl]phenyl]acetate
CID 156801488
tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate
CID 166831660
tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
CID 20802578
tert-butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 59061299
tert-butyl (4S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-4-phenylhept-6-enoate
CID 66586464
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
tert-butyl N-[(2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)-3-oxopropyl]-N-methylcarbamate
CID 146446756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate (CID 22842640) is tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate?
The InChIKey is UUQMVALTPCCIFJ-ULNSLHSMSA-N. The full InChI is InChI=1S/C33H38N2O6/c1-33(2,3)41-31(38)34(21-26-17-11-6-12-18-26)22-29(36)28(20-25-15-9-5-10-16-25)30(37)35-27(23-40-32(35)39)19-24-13-7-4-8-14-24/h4-18,27-29,36H,19-23H2,1-3H3/t27-,28+,29+/m1/s1.
What are the key properties of tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate?
tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate has a molecular weight of 558.68 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate is sourced from PubChem (CID 22842640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).