N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide

C18H23N3O — CID 139900739

IUPACN-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide
SMILESCC1CCCC(NC(=O)Cc2cnc3ccccc3n2)C1C
InChIInChI=1S/C18H23N3O/c1-12-6-5-9-15(13(12)2)21-18(22)10-14-11-19-16-7-3-4-8-17(16)20-14/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3,(H,21,22)
InChIKeyVDXBLPUNSSODGF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.11
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide

N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide (PubChem CID 139900739) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide
PubChem CID139900739
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide
SMILESCC1CCCC(NC(=O)Cc2cnc3ccccc3n2)C1C
InChIInChI=1S/C18H23N3O/c1-12-6-5-9-15(13(12)2)21-18(22)10-14-11-19-16-7-3-4-8-17(16)20-14/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3,(H,21,22)
InChIKeyVDXBLPUNSSODGF-UHFFFAOYSA-N
XLogP3.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide (CID 139900739) is N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide is CC1CCCC(NC(=O)Cc2cnc3ccccc3n2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide?
The InChIKey is VDXBLPUNSSODGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-6-5-9-15(13(12)2)21-18(22)10-14-11-19-16-7-3-4-8-17(16)20-14/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide?
N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide has a molecular weight of 297.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-quinoxalin-2-ylacetamide is sourced from PubChem (CID 139900739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).