(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

C29H28N2O6 — CID 71549843

IUPAC(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
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc43)C2=O)cc(OC)c1
InChIInChI=1S/C29H28N2O6/c1-35-22-14-20(15-23(16-22)36-2)18-30-26(32)29(17-19-8-4-3-5-9-19)27(33)31(28(34)37-29)25-13-12-21-10-6-7-11-24(21)25/h3-11,14-16,25H,12-13,17-18H2,1-2H3,(H,30,32)/t25-,29-/m1/s1
InChIKeyVUCMAAXWLOSQPX-VAVYLYDRSA-N
MW500.55 g/mol
LogP3.97
Rot. Bonds8

About (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

(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 (PubChem CID 71549843) has the molecular formula C29H28N2O6 and a molecular weight of 500.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71549843
Molecular FormulaC29H28N2O6
Molecular Weight500.55 g/mol
Exact Mass500.19
IUPAC Name(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
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc43)C2=O)cc(OC)c1
InChIInChI=1S/C29H28N2O6/c1-35-22-14-20(15-23(16-22)36-2)18-30-26(32)29(17-19-8-4-3-5-9-19)27(33)31(28(34)37-29)25-13-12-21-10-6-7-11-24(21)25/h3-11,14-16,25H,12-13,17-18H2,1-2H3,(H,30,32)/t25-,29-/m1/s1
InChIKeyVUCMAAXWLOSQPX-VAVYLYDRSA-N
XLogP3.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc43)C2=O)cc(OC)c1.
What is the InChIKey of (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?
The InChIKey is VUCMAAXWLOSQPX-VAVYLYDRSA-N. The full InChI is InChI=1S/C29H28N2O6/c1-35-22-14-20(15-23(16-22)36-2)18-30-26(32)29(17-19-8-4-3-5-9-19)27(33)31(28(34)37-29)25-13-12-21-10-6-7-11-24(21)25/h3-11,14-16,25H,12-13,17-18H2,1-2H3,(H,30,32)/t25-,29-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 500.55 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71549843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).