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

C22H25N3O2 — CID 53112263

IUPACN-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)12-13-23-22(26)16(3)27-18-10-8-17(9-11-18)21-14-24-19-6-4-5-7-20(19)25-21/h4-11,14-16H,12-13H2,1-3H3,(H,23,26)
InChIKeyYAUSAGXMHCAGDO-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.23
Rot. Bonds7

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

N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide (PubChem CID 53112263) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
PubChem CID53112263
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCC(C)CCNC(=O)C(C)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)12-13-23-22(26)16(3)27-18-10-8-17(9-11-18)21-14-24-19-6-4-5-7-20(19)25-21/h4-11,14-16H,12-13H2,1-3H3,(H,23,26)
InChIKeyYAUSAGXMHCAGDO-UHFFFAOYSA-N
XLogP4.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.23
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
(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086758
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086679
(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
(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086721
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-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide
CID 95086804
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895
(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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide (CID 53112263) is N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide is CC(C)CCNC(=O)C(C)Oc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The InChIKey is YAUSAGXMHCAGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)12-13-23-22(26)16(3)27-18-10-8-17(9-11-18)21-14-24-19-6-4-5-7-20(19)25-21/h4-11,14-16H,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide is sourced from PubChem (CID 53112263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).