2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide

C19H18N2O2 — CID 8763215

IUPAC2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2cccc3cnccc23)c1
InChIInChI=1S/C19H18N2O2/c1-13-6-7-14(2)18(10-13)23-12-19(22)21-17-5-3-4-15-11-20-9-8-16(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyJPUGHNFOCGYOBU-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.87
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide

2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide (PubChem CID 8763215) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
PubChem CID8763215
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2cccc3cnccc23)c1
InChIInChI=1S/C19H18N2O2/c1-13-6-7-14(2)18(10-13)23-12-19(22)21-17-5-3-4-15-11-20-9-8-16(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyJPUGHNFOCGYOBU-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]-4-methylbenzamide
CID 29372226
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide (CID 8763215) is 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide is Cc1ccc(C)c(OCC(=O)Nc2cccc3cnccc23)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide?
The InChIKey is JPUGHNFOCGYOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-6-7-14(2)18(10-13)23-12-19(22)21-17-5-3-4-15-11-20-9-8-16(15)17/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide?
2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide has a molecular weight of 306.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide is sourced from PubChem (CID 8763215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).