N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide

C30H25N3O2 — CID 53383121

IUPACN-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C30H25N3O2/c1-20-12-11-13-21(2)26(20)32-29(34)28(23-16-7-4-8-17-23)33-25-19-10-9-18-24(25)31-27(30(33)35)22-14-5-3-6-15-22/h3-19,28H,1-2H3,(H,32,34)
InChIKeyOHCUVWNQCNDFGM-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.91
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide

N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide (PubChem CID 53383121) has the molecular formula C30H25N3O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide
PubChem CID53383121
Molecular FormulaC30H25N3O2
Molecular Weight459.55 g/mol
Exact Mass459.19
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C30H25N3O2/c1-20-12-11-13-21(2)26(20)32-29(34)28(23-16-7-4-8-17-23)33-25-19-10-9-18-24(25)31-27(30(33)35)22-14-5-3-6-15-22/h3-19,28H,1-2H3,(H,32,34)
InChIKeyOHCUVWNQCNDFGM-UHFFFAOYSA-N
XLogP5.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide (CID 53383121) is N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide is Cc1cccc(C)c1NC(=O)C(c1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide?
The InChIKey is OHCUVWNQCNDFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2/c1-20-12-11-13-21(2)26(20)32-29(34)28(23-16-7-4-8-17-23)33-25-19-10-9-18-24(25)31-27(30(33)35)22-14-5-3-6-15-22/h3-19,28H,1-2H3,(H,32,34).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide?
N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide has a molecular weight of 459.55 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 53383121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).