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

C18H20N2O4 — CID 7585276

IUPACN'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1OC
InChIInChI=1S/C18H20N2O4/c1-12-6-4-5-7-13(12)11-19-17(21)18(22)20-14-8-9-15(23-2)16(10-14)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQKXJEYCCRROTLR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.27
Rot. Bonds5

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

N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide (PubChem CID 7585276) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
PubChem CID7585276
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1OC
InChIInChI=1S/C18H20N2O4/c1-12-6-4-5-7-13(12)11-19-17(21)18(22)20-14-8-9-15(23-2)16(10-14)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQKXJEYCCRROTLR-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.27
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

N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435
N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019185
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
N-(3,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 44999448
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598995
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174354
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide (CID 7585276) is N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide is COc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide?
The InChIKey is QKXJEYCCRROTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-6-4-5-7-13(12)11-19-17(21)18(22)20-14-8-9-15(23-2)16(10-14)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide?
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide has a molecular weight of 328.37 g/mol, XLogP of 2.27, 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)-N-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 7585276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).