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

C20H24N2O4 — CID 3105031

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-13-5-7-16(11-14(13)2)22-20(24)19(23)21-10-9-15-6-8-17(25-3)18(12-15)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyUFLMPYIYOOHIQM-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.62
Rot. Bonds6

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide (PubChem CID 3105031) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide
PubChem CID3105031
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-13-5-7-16(11-14(13)2)22-20(24)19(23)21-10-9-15-6-8-17(25-3)18(12-15)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyUFLMPYIYOOHIQM-UHFFFAOYSA-N
XLogP2.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide (CID 3105031) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The InChIKey is UFLMPYIYOOHIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-5-7-16(11-14(13)2)22-20(24)19(23)21-10-9-15-6-8-17(25-3)18(12-15)26-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide has a molecular weight of 356.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 3105031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).