(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide

C20H21N3O2 — CID 95086695

IUPAC(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCC(C)NC(=O)[C@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O2/c1-13(2)22-20(24)14(3)25-16-10-8-15(9-11-16)19-12-21-17-6-4-5-7-18(17)23-19/h4-14H,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyDWGPNVFMEIZGRT-AWEZNQCLSA-N
MW335.41 g/mol
LogP3.59
Rot. Bonds5

About (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide

(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide (PubChem CID 95086695) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
PubChem CID95086695
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCC(C)NC(=O)[C@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O2/c1-13(2)22-20(24)14(3)25-16-10-8-15(9-11-16)19-12-21-17-6-4-5-7-18(17)23-19/h4-14H,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyDWGPNVFMEIZGRT-AWEZNQCLSA-N
XLogP3.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112263
(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086758
N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112242
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086679
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895
(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
N-(3-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112246
N-(4-fluoro-2-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112286

Frequently Asked Questions

What is the IUPAC name of (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide (CID 95086695) is (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide is CC(C)NC(=O)[C@H](C)Oc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The InChIKey is DWGPNVFMEIZGRT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(2)22-20(24)14(3)25-16-10-8-15(9-11-16)19-12-21-17-6-4-5-7-18(17)23-19/h4-14H,1-3H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide?
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide is sourced from PubChem (CID 95086695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).