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

C30H30N2O6 — CID 71549706

IUPAC(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCCc4ccccc43)C2=O)cc(OC)c1
InChIInChI=1S/C30H30N2O6/c1-36-23-15-21(16-24(17-23)37-2)19-31-27(33)30(18-20-9-4-3-5-10-20)28(34)32(29(35)38-30)26-14-8-12-22-11-6-7-13-25(22)26/h3-7,9-11,13,15-17,26H,8,12,14,18-19H2,1-2H3,(H,31,33)/t26?,30-/m1/s1
InChIKeyBJIJYPHJHHHWTD-NPRFROTHSA-N
MW514.58 g/mol
LogP4.36
Rot. Bonds8

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

(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide (PubChem CID 71549706) has the molecular formula C30H30N2O6 and a molecular weight of 514.58 g/mol. Its IUPAC name is (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide
PubChem CID71549706
Molecular FormulaC30H30N2O6
Molecular Weight514.58 g/mol
Exact Mass514.21
IUPAC Name(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCCc4ccccc43)C2=O)cc(OC)c1
InChIInChI=1S/C30H30N2O6/c1-36-23-15-21(16-24(17-23)37-2)19-31-27(33)30(18-20-9-4-3-5-10-20)28(34)32(29(35)38-30)26-14-8-12-22-11-6-7-13-25(22)26/h3-7,9-11,13,15-17,26H,8,12,14,18-19H2,1-2H3,(H,31,33)/t26?,30-/m1/s1
InChIKeyBJIJYPHJHHHWTD-NPRFROTHSA-N
XLogP4.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.36
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-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide with MolForge

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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-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (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) is (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide is COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCCc4ccccc43)C2=O)cc(OC)c1.
What is the InChIKey of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide?
The InChIKey is BJIJYPHJHHHWTD-NPRFROTHSA-N. The full InChI is InChI=1S/C30H30N2O6/c1-36-23-15-21(16-24(17-23)37-2)19-31-27(33)30(18-20-9-4-3-5-10-20)28(34)32(29(35)38-30)26-14-8-12-22-11-6-7-13-25(22)26/h3-7,9-11,13,15-17,26H,8,12,14,18-19H2,1-2H3,(H,31,33)/t26?,30-/m1/s1.
What are the key properties of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide?
(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 4.36, 8 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-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71549706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).