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

C28H34N2O6 — CID 71549842

IUPAC(5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-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/C28H34N2O6/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/h4,6-7,10-11,14-16,19,22H,5,8-9,12-13,17-18H2,1-3H3,(H,29,31)/t19-,28-/m1/s1
InChIKeyUQMXAKQCHCETLA-WHLCRQNOSA-N
MW494.59 g/mol
LogP4.25
Rot. Bonds9

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

(5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide (PubChem CID 71549842) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide
PubChem CID71549842
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC Name(5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-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/C28H34N2O6/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/h4,6-7,10-11,14-16,19,22H,5,8-9,12-13,17-18H2,1-3H3,(H,29,31)/t19-,28-/m1/s1
InChIKeyUQMXAKQCHCETLA-WHLCRQNOSA-N
XLogP4.25
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.25
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)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

CID 71545110
CID 71545110
CID 71549702
CID 71549702
CID 71549705
CID 71549705
CID 71549706
CID 71549706
CID 71549840
CID 71549840
CID 71549841
CID 71549841
CID 71549843
CID 71549843
CID 71726436
CID 71726436
CID 71726438
CID 71726438
CID 71726439
CID 71726439
CID 71726558
CID 71726558
CID 71726559
CID 71726559

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide (CID 71549842) is (5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-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](C)C3CCCCC3)C2=O)cc(OC)c1.
What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is UQMXAKQCHCETLA-WHLCRQNOSA-N. The full InChI is InChI=1S/C28H34N2O6/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/h4,6-7,10-11,14-16,19,22H,5,8-9,12-13,17-18H2,1-3H3,(H,29,31)/t19-,28-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide?
(5R)-5-benzyl-3-[(1R)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 4.25, 9 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)-1-cyclohexylethyl]-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71549842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).