N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide

C20H21N3O2 — CID 2511626

IUPACN-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C20H21N3O2/c1-15(2)22(13-16-8-4-3-5-9-16)20(25)14-23-18-11-7-6-10-17(18)21-12-19(23)24/h3-12,15H,13-14H2,1-2H3
InChIKeyYKHYXLDLVXNFCP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide

N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide (PubChem CID 2511626) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide
PubChem CID2511626
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C20H21N3O2/c1-15(2)22(13-16-8-4-3-5-9-16)20(25)14-23-18-11-7-6-10-17(18)21-12-19(23)24/h3-12,15H,13-14H2,1-2H3
InChIKeyYKHYXLDLVXNFCP-UHFFFAOYSA-N
XLogP2.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide (CID 2511626) is N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is YKHYXLDLVXNFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(2)22(13-16-8-4-3-5-9-16)20(25)14-23-18-11-7-6-10-17(18)21-12-19(23)24/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 335.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-oxoquinoxalin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 2511626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).