(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide

C28H28N2O6 — CID 71726558

IUPAC(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1
InChIInChI=1S/C28H28N2O6/c1-19(22-12-8-5-9-13-22)30-26(32)28(36-27(30)33,17-20-10-6-4-7-11-20)25(31)29-18-21-14-23(34-2)16-24(15-21)35-3/h4-16,19H,17-18H2,1-3H3,(H,29,31)/t19-,28+/m0/s1
InChIKeyUOOMYPHRFLZIRW-HMILPKGGSA-N
MW488.54 g/mol
LogP4.04
Rot. Bonds9

About (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide

(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide (PubChem CID 71726558) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
PubChem CID71726558
Molecular FormulaC28H28N2O6
Molecular Weight488.54 g/mol
Exact Mass488.19
IUPAC Name(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1
InChIInChI=1S/C28H28N2O6/c1-19(22-12-8-5-9-13-22)30-26(32)28(36-27(30)33,17-20-10-6-4-7-11-20)25(31)29-18-21-14-23(34-2)16-24(15-21)35-3/h4-16,19H,17-18H2,1-3H3,(H,29,31)/t19-,28+/m0/s1
InChIKeyUOOMYPHRFLZIRW-HMILPKGGSA-N
XLogP4.04
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5R)-Benzyl-N-(3,5-dimethoxybenzyl)-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
CID 71545110
(5R)-N-[(3,5-dimethoxyphenyl)methyl]-5-[(4-fluorophenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
CID 71549702
(5R)-5-Benzyl-N-(3,5-dimethoxybenzyl)-3-(1-methylethyl)-2,4-dioxo-1,3-oxazolidine-5-carboxamide
CID 71549705
(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide
CID 71549706
(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide
CID 71549840
(5R)-5-benzyl-3-[(1R)-1-(4-chlorophenyl)ethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide
CID 71549841
(5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide
CID 71549842
(5R)-5-benzyl-3-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide
CID 71549843
(5R)-N-[(3,5-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
CID 71726436
(5R)-5-[(3-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
CID 71726438
(5R)-5-[(2-chlorophenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide
CID 71726439
(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide
CID 71726559

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide (CID 71726558) is (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide is COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1.
What is the InChIKey of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
The InChIKey is UOOMYPHRFLZIRW-HMILPKGGSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-19(22-12-8-5-9-13-22)30-26(32)28(36-27(30)33,17-20-10-6-4-7-11-20)25(31)29-18-21-14-23(34-2)16-24(15-21)35-3/h4-16,19H,17-18H2,1-3H3,(H,29,31)/t19-,28+/m0/s1.
What are the key properties of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide?
(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71726558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).