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

C23H26N2O6 — CID 71549705

IUPAC(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C(C)C)C2=O)cc(OC)c1
InChIInChI=1S/C23H26N2O6/c1-15(2)25-21(27)23(31-22(25)28,13-16-8-6-5-7-9-16)20(26)24-14-17-10-18(29-3)12-19(11-17)30-4/h5-12,15H,13-14H2,1-4H3,(H,24,26)/t23-/m1/s1
InChIKeyGYLWBZWFJFWZEQ-HSZRJFAPSA-N
MW426.47 g/mol
LogP2.69
Rot. Bonds8

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

(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide (PubChem CID 71549705) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide
PubChem CID71549705
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C(C)C)C2=O)cc(OC)c1
InChIInChI=1S/C23H26N2O6/c1-15(2)25-21(27)23(31-22(25)28,13-16-8-6-5-7-9-16)20(26)24-14-17-10-18(29-3)12-19(11-17)30-4/h5-12,15H,13-14H2,1-4H3,(H,24,26)/t23-/m1/s1
InChIKeyGYLWBZWFJFWZEQ-HSZRJFAPSA-N
XLogP2.69
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.69
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-propan-2-yl-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide (CID 71549705) is (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide is COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C(C)C)C2=O)cc(OC)c1.
What is the InChIKey of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide?
The InChIKey is GYLWBZWFJFWZEQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-15(2)25-21(27)23(31-22(25)28,13-16-8-6-5-7-9-16)20(26)24-14-17-10-18(29-3)12-19(11-17)30-4/h5-12,15H,13-14H2,1-4H3,(H,24,26)/t23-/m1/s1.
What are the key properties of (5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide?
(5R)-5-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-3-propan-2-yl-1,3-oxazolidine-5-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.69, 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-propan-2-yl-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71549705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).