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

C30H27N3O2 — CID 53383137

IUPACN-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C30H27N3O2/c1-30(2,3)32-28(34)27(23-17-11-15-20-12-7-8-16-22(20)23)33-25-19-10-9-18-24(25)31-26(29(33)35)21-13-5-4-6-14-21/h4-19,27H,1-3H3,(H,32,34)
InChIKeyCZJCJIIRKWJFAP-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.72
Rot. Bonds4

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

N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide (PubChem CID 53383137) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
PubChem CID53383137
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC NameN-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C30H27N3O2/c1-30(2,3)32-28(34)27(23-17-11-15-20-12-7-8-16-22(20)23)33-25-19-10-9-18-24(25)31-26(29(33)35)21-13-5-4-6-14-21/h4-19,27H,1-3H3,(H,32,34)
InChIKeyCZJCJIIRKWJFAP-UHFFFAOYSA-N
XLogP5.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.72
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-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide (CID 53383137) is N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide is CC(C)(C)NC(=O)C(c1cccc2ccccc12)n1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
The InChIKey is CZJCJIIRKWJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-30(2,3)32-28(34)27(23-17-11-15-20-12-7-8-16-22(20)23)33-25-19-10-9-18-24(25)31-26(29(33)35)21-13-5-4-6-14-21/h4-19,27H,1-3H3,(H,32,34).
What are the key properties of N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide?
N-tert-butyl-2-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide has a molecular weight of 461.57 g/mol, XLogP of 5.72, 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-naphthalen-1-yl-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide is sourced from PubChem (CID 53383137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).