(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide

C25H23N3O3 — CID 95086721

IUPAC(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1
InChIInChI=1S/C25H23N3O3/c1-17(25(29)27-15-18-6-5-7-21(14-18)30-2)31-20-12-10-19(11-13-20)24-16-26-22-8-3-4-9-23(22)28-24/h3-14,16-17H,15H2,1-2H3,(H,27,29)/t17-/m1/s1
InChIKeyXIYPQWZMASKKFQ-QGZVFWFLSA-N
MW413.48 g/mol
LogP4.39
Rot. Bonds7

About (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide

(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide (PubChem CID 95086721) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
PubChem CID95086721
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1
InChIInChI=1S/C25H23N3O3/c1-17(25(29)27-15-18-6-5-7-21(14-18)30-2)31-20-12-10-19(11-13-20)24-16-26-22-8-3-4-9-23(22)28-24/h3-14,16-17H,15H2,1-2H3,(H,27,29)/t17-/m1/s1
InChIKeyXIYPQWZMASKKFQ-QGZVFWFLSA-N
XLogP4.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086679
(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086758
(2R)-N-(3-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086643
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112263
(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086695
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112242
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide (CID 95086721) is (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide is COc1cccc(CNC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1.
What is the InChIKey of (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The InChIKey is XIYPQWZMASKKFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17(25(29)27-15-18-6-5-7-21(14-18)30-2)31-20-12-10-19(11-13-20)24-16-26-22-8-3-4-9-23(22)28-24/h3-14,16-17H,15H2,1-2H3,(H,27,29)/t17-/m1/s1.
What are the key properties of (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide?
(2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide has a molecular weight of 413.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide is sourced from PubChem (CID 95086721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).