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

C20H20N2O6 — CID 71728226

IUPAC3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)C2OC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1
InChIInChI=1S/C20H20N2O6/c1-26-15-8-14(9-16(10-15)27-2)11-21-18(23)17-19(24)22(20(25)28-17)12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3,(H,21,23)
InChIKeyDMDWNLSVHZKAJO-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.87
Rot. Bonds7

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

3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide (PubChem CID 71728226) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide
PubChem CID71728226
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(CNC(=O)C2OC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1
InChIInChI=1S/C20H20N2O6/c1-26-15-8-14(9-16(10-15)27-2)11-21-18(23)17-19(24)22(20(25)28-17)12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3,(H,21,23)
InChIKeyDMDWNLSVHZKAJO-UHFFFAOYSA-N
XLogP1.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.87
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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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
4-[[(4S)-4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851613
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
1-[[3-(difluoromethoxy)phenyl]methyl]-N-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carboxamide
CID 3606191
(2R,3R)-N-benzyl-3-(4-methoxyphenyl)oxirane-2-carboxamide
CID 135481416
1,3-dibenzyl-N-[(3,5-dimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 71726690
N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 134082791
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
4-benzylsulfonyl-N-[(3,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 55909086
N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 50823441
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide (CID 71728226) is 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide is COc1cc(CNC(=O)C2OC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1.
What is the InChIKey of 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is DMDWNLSVHZKAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-26-15-8-14(9-16(10-15)27-2)11-21-18(23)17-19(24)22(20(25)28-17)12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide?
3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 71728226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).