N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide

C24H21N3O2 — CID 53010895

IUPACN-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCc1cccc(NC(=O)C(C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1
InChIInChI=1S/C24H21N3O2/c1-16-6-5-7-19(14-16)26-24(28)17(2)29-20-12-10-18(11-13-20)23-15-25-21-8-3-4-9-22(21)27-23/h3-15,17H,1-2H3,(H,26,28)
InChIKeyWJAYNIYDLCLJEL-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.01
Rot. Bonds5

About N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide

N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide (PubChem CID 53010895) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
PubChem CID53010895
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCc1cccc(NC(=O)C(C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1
InChIInChI=1S/C24H21N3O2/c1-16-6-5-7-19(14-16)26-24(28)17(2)29-20-12-10-18(11-13-20)23-15-25-21-8-3-4-9-22(21)27-23/h3-15,17H,1-2H3,(H,26,28)
InChIKeyWJAYNIYDLCLJEL-UHFFFAOYSA-N
XLogP5.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086738
(2R)-N-(3,4-difluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086749
N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112242
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086695
N-(4-fluoro-2-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112286
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
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-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide (CID 53010895) is N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide is Cc1cccc(NC(=O)C(C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The InChIKey is WJAYNIYDLCLJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-6-5-7-19(14-16)26-24(28)17(2)29-20-12-10-18(11-13-20)23-15-25-21-8-3-4-9-22(21)27-23/h3-15,17H,1-2H3,(H,26,28).
What are the key properties of N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide has a molecular weight of 383.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide is sourced from PubChem (CID 53010895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).