N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C19H22N2O3 — CID 2217968

IUPACN'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-13-4-7-16(12-14(13)2)21-19(23)18(22)20-11-10-15-5-8-17(24-3)9-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyMBJSMJGCCMDZCC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.61
Rot. Bonds5

About N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 2217968) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID2217968
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-13-4-7-16(12-14(13)2)21-19(23)18(22)20-11-10-15-5-8-17(24-3)9-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyMBJSMJGCCMDZCC-UHFFFAOYSA-N
XLogP2.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 2217968) is N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is MBJSMJGCCMDZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-4-7-16(12-14(13)2)21-19(23)18(22)20-11-10-15-5-8-17(24-3)9-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 326.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 2217968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).