N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide

C23H18N2O3 — CID 11372136

IUPACN-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Oc2cccc3cnccc23)cc1
InChIInChI=1S/C23H18N2O3/c26-23(16-27-19-6-2-1-3-7-19)25-18-9-11-20(12-10-18)28-22-8-4-5-17-15-24-14-13-21(17)22/h1-15H,16H2,(H,25,26)
InChIKeyOEMOMDKUYYQSSU-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.04
Rot. Bonds6

About N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide

N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide (PubChem CID 11372136) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide
PubChem CID11372136
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC NameN-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Oc2cccc3cnccc23)cc1
InChIInChI=1S/C23H18N2O3/c26-23(16-27-19-6-2-1-3-7-19)25-18-9-11-20(12-10-18)28-22-8-4-5-17-15-24-14-13-21(17)22/h1-15H,16H2,(H,25,26)
InChIKeyOEMOMDKUYYQSSU-UHFFFAOYSA-N
XLogP5.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
N-(6-fluoro-3-pyridinyl)-2-phenoxyacetamide
CID 103789815
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
2-isoquinolin-5-yloxy-N-(2-oxoethyl)acetamide
CID 143072918
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
N-naphthalen-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 71939692
N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide
CID 4783939
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957

Frequently Asked Questions

What is the IUPAC name of N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide (CID 11372136) is N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Oc2cccc3cnccc23)cc1.
What is the InChIKey of N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide?
The InChIKey is OEMOMDKUYYQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-23(16-27-19-6-2-1-3-7-19)25-18-9-11-20(12-10-18)28-22-8-4-5-17-15-24-14-13-21(17)22/h1-15H,16H2,(H,25,26).
What are the key properties of N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide?
N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide has a molecular weight of 370.41 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isoquinolin-5-yloxyphenyl)-2-phenoxyacetamide is sourced from PubChem (CID 11372136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).