N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide

C19H22N2O4 — CID 108985884

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2cccc(C)c2C)cc1OC
InChIInChI=1S/C19H22N2O4/c1-12-6-5-7-15(13(12)2)21-19(23)18(22)20-11-14-8-9-16(24-3)17(10-14)25-4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyITVJXGOXUVEGPF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.58
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide

N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide (PubChem CID 108985884) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
PubChem CID108985884
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2cccc(C)c2C)cc1OC
InChIInChI=1S/C19H22N2O4/c1-12-6-5-7-15(13(12)2)21-19(23)18(22)20-11-14-8-9-16(24-3)17(10-14)25-4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyITVJXGOXUVEGPF-UHFFFAOYSA-N
XLogP2.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9288108
N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985894
N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 55432537
3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
CID 26660572
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985903
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968949
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9058226
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109309861
4-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109215565

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide (CID 108985884) is N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide is COc1ccc(CNC(=O)C(=O)Nc2cccc(C)c2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide?
The InChIKey is ITVJXGOXUVEGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-6-5-7-15(13(12)2)21-19(23)18(22)20-11-14-8-9-16(24-3)17(10-14)25-4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide has a molecular weight of 342.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide is sourced from PubChem (CID 108985884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).