N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide

C26H25N3O2 — CID 53383139

IUPACN-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H25N3O2/c1-26(2,3)28-24(30)23(19-14-8-5-9-15-19)29-21-17-11-10-16-20(21)27-22(25(29)31)18-12-6-4-7-13-18/h4-17,23H,1-3H3,(H,28,30)
InChIKeyOOZQTHKAIOXNLI-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.57
Rot. Bonds4

About N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide

N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide (PubChem CID 53383139) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide
PubChem CID53383139
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H25N3O2/c1-26(2,3)28-24(30)23(19-14-8-5-9-15-19)29-21-17-11-10-16-20(21)27-22(25(29)31)18-12-6-4-7-13-18/h4-17,23H,1-3H3,(H,28,30)
InChIKeyOOZQTHKAIOXNLI-UHFFFAOYSA-N
XLogP4.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide?
The IUPAC name of N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide (CID 53383139) is N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide is CC(C)(C)NC(=O)C(c1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide?
The InChIKey is OOZQTHKAIOXNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-26(2,3)28-24(30)23(19-14-8-5-9-15-19)29-21-17-11-10-16-20(21)27-22(25(29)31)18-12-6-4-7-13-18/h4-17,23H,1-3H3,(H,28,30).
What are the key properties of N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide?
N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide has a molecular weight of 411.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 53383139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).