N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide

C17H18N2O3 — CID 2218126

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-15-9-7-13(8-10-15)11-12-18-16(20)17(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyDJHGNYORZDICJU-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide

N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide (PubChem CID 2218126) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide
PubChem CID2218126
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-15-9-7-13(8-10-15)11-12-18-16(20)17(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyDJHGNYORZDICJU-UHFFFAOYSA-N
XLogP1.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.99
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-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide (CID 2218126) is N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide?
The InChIKey is DJHGNYORZDICJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-15-9-7-13(8-10-15)11-12-18-16(20)17(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide has a molecular weight of 298.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide is sourced from PubChem (CID 2218126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).