N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide

C18H17N3O2 — CID 127031792

IUPACN-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C18H17N3O2/c1-12-7-9-14(10-8-12)20-17(22)11-23-18-13(2)19-15-5-3-4-6-16(15)21-18/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyGBDVTBZVBYIAMB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.26
Rot. Bonds4

About N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide

N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide (PubChem CID 127031792) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide
PubChem CID127031792
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C18H17N3O2/c1-12-7-9-14(10-8-12)20-17(22)11-23-18-13(2)19-15-5-3-4-6-16(15)21-18/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyGBDVTBZVBYIAMB-UHFFFAOYSA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide?
The IUPAC name of N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide (CID 127031792) is N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide is Cc1ccc(NC(=O)COc2nc3ccccc3nc2C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide?
The InChIKey is GBDVTBZVBYIAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-9-14(10-8-12)20-17(22)11-23-18-13(2)19-15-5-3-4-6-16(15)21-18/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide?
N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide has a molecular weight of 307.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3-methylquinoxalin-2-yl)oxyacetamide is sourced from PubChem (CID 127031792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).