N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide

C25H23N3O3 — CID 53112310

IUPACN-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C25H23N3O3/c1-3-24(25(29)27-18-10-14-19(30-2)15-11-18)31-20-12-8-17(9-13-20)23-16-26-21-6-4-5-7-22(21)28-23/h4-16,24H,3H2,1-2H3,(H,27,29)
InChIKeyVBPOJEMDDGZZRD-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.10
Rot. Bonds7

About N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide

N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide (PubChem CID 53112310) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
PubChem CID53112310
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C25H23N3O3/c1-3-24(25(29)27-18-10-14-19(30-2)15-11-18)31-20-12-8-17(9-13-20)23-16-26-21-6-4-5-7-22(21)28-23/h4-16,24H,3H2,1-2H3,(H,27,29)
InChIKeyVBPOJEMDDGZZRD-UHFFFAOYSA-N
XLogP5.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)butanamide
CID 95086804
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
(2R)-N-(3-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086643
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086679
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
(2R)-N-(3,4-difluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086749
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide (CID 53112310) is N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide is CCC(Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide?
The InChIKey is VBPOJEMDDGZZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-24(25(29)27-18-10-14-19(30-2)15-11-18)31-20-12-8-17(9-13-20)23-16-26-21-6-4-5-7-22(21)28-23/h4-16,24H,3H2,1-2H3,(H,27,29).
What are the key properties of N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide?
N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide has a molecular weight of 413.48 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide is sourced from PubChem (CID 53112310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).