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

C19H22N2O4 — CID 108984830

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-13-4-6-14(7-5-13)11-20-18(22)19(23)21-12-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySWRQDIGOYJZSHP-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds6

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

N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 108984830) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID108984830
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-13-4-6-14(7-5-13)11-20-18(22)19(23)21-12-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySWRQDIGOYJZSHP-UHFFFAOYSA-N
XLogP1.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
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'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 60541664
N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 108985884
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985903
2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304602
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide (CID 108984830) is N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NCc2ccc(C)cc2)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is SWRQDIGOYJZSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-4-6-14(7-5-13)11-20-18(22)19(23)21-12-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 342.40 g/mol, XLogP of 1.94, 6 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-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108984830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).