N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide

C19H22N2O4 — CID 108985887

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)NCc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-4-21(15-8-6-5-7-9-15)19(23)18(22)20-13-14-10-11-16(24-2)17(12-14)25-3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyXUFGTKKZKMRAOH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.37
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide

N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide (PubChem CID 108985887) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
PubChem CID108985887
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)NCc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-4-21(15-8-6-5-7-9-15)19(23)18(22)20-13-14-10-11-16(24-2)17(12-14)25-3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyXUFGTKKZKMRAOH-UHFFFAOYSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863
N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
CID 108518202
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
CID 109003065
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985894
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide (CID 108985887) is N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide is CCN(C(=O)C(=O)NCc1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide?
The InChIKey is XUFGTKKZKMRAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-21(15-8-6-5-7-9-15)19(23)18(22)20-13-14-10-11-16(24-2)17(12-14)25-3/h5-12H,4,13H2,1-3H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide has a molecular weight of 342.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide is sourced from PubChem (CID 108985887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).