(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide

C24H21N3O2 — CID 95086758

IUPAC(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESC[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C24H21N3O2/c1-17(24(28)26-15-18-7-3-2-4-8-18)29-20-13-11-19(12-14-20)23-16-25-21-9-5-6-10-22(21)27-23/h2-14,16-17H,15H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyPQNFLBWKYORTNN-KRWDZBQOSA-N
MW383.45 g/mol
LogP4.38
Rot. Bonds6

About (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide

(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide (PubChem CID 95086758) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
PubChem CID95086758
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESC[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C24H21N3O2/c1-17(24(28)26-15-18-7-3-2-4-8-18)29-20-13-11-19(12-14-20)23-16-25-21-9-5-6-10-22(21)27-23/h2-14,16-17H,15H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyPQNFLBWKYORTNN-KRWDZBQOSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086679
(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086721
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112263
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086695
(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112242
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2R)-N-(3,4-difluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086749
(2R)-N-(3-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide (CID 95086758) is (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide is C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The InChIKey is PQNFLBWKYORTNN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17(24(28)26-15-18-7-3-2-4-8-18)29-20-13-11-19(12-14-20)23-16-25-21-9-5-6-10-22(21)27-23/h2-14,16-17H,15H2,1H3,(H,26,28)/t17-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide?
(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide has a molecular weight of 383.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide is sourced from PubChem (CID 95086758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).