(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide

C21H23N3O2 — CID 95086804

IUPAC(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide
SMILESCCCNC(=O)[C@@H](CC)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-13-22-21(25)20(4-2)26-16-11-9-15(10-12-16)19-14-23-17-7-5-6-8-18(17)24-19/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyYIWASSJUDLXZJZ-HXUWFJFHSA-N
MW349.43 g/mol
LogP3.98
Rot. Bonds7

About (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide

(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide (PubChem CID 95086804) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide
PubChem CID95086804
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide
SMILESCCCNC(=O)[C@@H](CC)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-13-22-21(25)20(4-2)26-16-11-9-15(10-12-16)19-14-23-17-7-5-6-8-18(17)24-19/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyYIWASSJUDLXZJZ-HXUWFJFHSA-N
XLogP3.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.98
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
N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
CID 53112310
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112263
(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086758
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086695
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086679
(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086721

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide?
The IUPAC name of (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide (CID 95086804) is (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide?
The canonical SMILES for (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide is CCCNC(=O)[C@@H](CC)Oc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide?
The InChIKey is YIWASSJUDLXZJZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-13-22-21(25)20(4-2)26-16-11-9-15(10-12-16)19-14-23-17-7-5-6-8-18(17)24-19/h5-12,14,20H,3-4,13H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide?
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide has a molecular weight of 349.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide is sourced from PubChem (CID 95086804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).