N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide

C18H20N2O3 — CID 3114031

IUPACN'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-4-5-13(2)16(10-12)20-18(22)17(21)19-11-14-6-8-15(23-3)9-7-14/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeySXFVMGQSQAEAPT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.57
Rot. Bonds4

About N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide

N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 3114031) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID3114031
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-4-5-13(2)16(10-12)20-18(22)17(21)19-11-14-6-8-15(23-3)9-7-14/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeySXFVMGQSQAEAPT-UHFFFAOYSA-N
XLogP2.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 108508266
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 71894836
N'-(2-chloro-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 121478703
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide (CID 3114031) is N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is SXFVMGQSQAEAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-4-5-13(2)16(10-12)20-18(22)17(21)19-11-14-6-8-15(23-3)9-7-14/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide?
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 312.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 3114031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).