ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate

C25H30N2O5 — CID 102477687

IUPACethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
SMILESCCOC(=O)[C@@H](CC(=O)N1C(=O)OC[C@H]1CC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H30N2O5/c1-3-21-18-32-25(30)27(21)23(28)15-22(24(29)31-4-2)26(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22-/m1/s1
InChIKeyFFWWYLLSOUUELP-FGZHOGPDSA-N
MW438.52 g/mol
LogP3.77
Rot. Bonds10

About ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate

ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate (PubChem CID 102477687) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
PubChem CID102477687
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Nameethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
SMILESCCOC(=O)[C@@H](CC(=O)N1C(=O)OC[C@H]1CC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H30N2O5/c1-3-21-18-32-25(30)27(21)23(28)15-22(24(29)31-4-2)26(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22-/m1/s1
InChIKeyFFWWYLLSOUUELP-FGZHOGPDSA-N
XLogP3.77
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate with MolForge

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Related Compounds

ethyl 2-(dibenzylamino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 102477685
(4R)-4-benzyl-3-(3-pentyloctanoyl)-1,3-oxazolidin-2-one
CID 177137787
1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
ethyl 2-(dibenzylamino)-5,5-dimethyl-4-oxohexanoate
CID 102383366
(2S)-2-benzyl-1-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]pentane-1,4-dione
CID 59100324
ethyl (2S)-2,3-bis(dibenzylamino)propanoate
CID 146168369
benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
CID 10764752
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 100948287
4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
CID 71379112
benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 141155512
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate?
The IUPAC name of ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate (CID 102477687) is ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate?
The canonical SMILES for ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate is CCOC(=O)[C@@H](CC(=O)N1C(=O)OC[C@H]1CC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate?
The InChIKey is FFWWYLLSOUUELP-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-3-21-18-32-25(30)27(21)23(28)15-22(24(29)31-4-2)26(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate?
ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate has a molecular weight of 438.52 g/mol, XLogP of 3.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(dibenzylamino)-4-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate is sourced from PubChem (CID 102477687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).