N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide

C25H23N3O2 — CID 53112242

IUPACN-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C25H23N3O2/c1-16-7-6-8-17(2)24(16)28-25(29)18(3)30-20-13-11-19(12-14-20)23-15-26-21-9-4-5-10-22(21)27-23/h4-15,18H,1-3H3,(H,28,29)
InChIKeyZNCYYZCFRICWTM-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.32
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide

N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide (PubChem CID 53112242) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
PubChem CID53112242
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C25H23N3O2/c1-16-7-6-8-17(2)24(16)28-25(29)18(3)30-20-13-11-19(12-14-20)23-15-26-21-9-4-5-10-22(21)27-23/h4-15,18H,1-3H3,(H,28,29)
InChIKeyZNCYYZCFRICWTM-UHFFFAOYSA-N
XLogP5.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895
(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086695
(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086738
N-(4-fluoro-2-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112286
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
(2R)-N-(3-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086643
N-(3-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112246
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
(2R)-N-(3,4-difluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086749
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112263
(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086758

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide (CID 53112242) is N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide is Cc1cccc(C)c1NC(=O)C(C)Oc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The InChIKey is ZNCYYZCFRICWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-7-6-8-17(2)24(16)28-25(29)18(3)30-20-13-11-19(12-14-20)23-15-26-21-9-4-5-10-22(21)27-23/h4-15,18H,1-3H3,(H,28,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide has a molecular weight of 397.48 g/mol, XLogP of 5.32, 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-(4-quinoxalin-2-ylphenoxy)propanamide is sourced from PubChem (CID 53112242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).