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

C29H30N2O6 — CID 71726559

IUPAC(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide
SMILESCC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cc(OC)cc(OC)c2)C1=O
InChIInChI=1S/C29H30N2O6/c1-4-25(22-13-9-6-10-14-22)31-27(33)29(37-28(31)34,18-20-11-7-5-8-12-20)26(32)30-19-21-15-23(35-2)17-24(16-21)36-3/h5-17,25H,4,18-19H2,1-3H3,(H,30,32)/t25-,29-/m1/s1
InChIKeySQSRDMBFJGPFMP-VAVYLYDRSA-N
MW502.57 g/mol
LogP4.43
Rot. Bonds10

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

(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide (PubChem CID 71726559) has the molecular formula C29H30N2O6 and a molecular weight of 502.57 g/mol. Its IUPAC name is (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide
PubChem CID71726559
Molecular FormulaC29H30N2O6
Molecular Weight502.57 g/mol
Exact Mass502.21
IUPAC Name(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide
SMILESCC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cc(OC)cc(OC)c2)C1=O
InChIInChI=1S/C29H30N2O6/c1-4-25(22-13-9-6-10-14-22)31-27(33)29(37-28(31)34,18-20-11-7-5-8-12-20)26(32)30-19-21-15-23(35-2)17-24(16-21)36-3/h5-17,25H,4,18-19H2,1-3H3,(H,30,32)/t25-,29-/m1/s1
InChIKeySQSRDMBFJGPFMP-VAVYLYDRSA-N
XLogP4.43
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide (CID 71726559) is (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide is CC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cc(OC)cc(OC)c2)C1=O.
What is the InChIKey of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide?
The InChIKey is SQSRDMBFJGPFMP-VAVYLYDRSA-N. The full InChI is InChI=1S/C29H30N2O6/c1-4-25(22-13-9-6-10-14-22)31-27(33)29(37-28(31)34,18-20-11-7-5-8-12-20)26(32)30-19-21-15-23(35-2)17-24(16-21)36-3/h5-17,25H,4,18-19H2,1-3H3,(H,30,32)/t25-,29-/m1/s1.
What are the key properties of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide?
(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 4.43, 10 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-[(1R)-1-phenylpropyl]-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71726559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).