N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide

C19H18N2O3 — CID 43985399

IUPACN-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
SMILESCCc1ccc(NC(=O)COc2cccc3c(=O)[nH]ccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-2-13-6-8-14(9-7-13)21-18(22)12-24-17-5-3-4-16-15(17)10-11-20-19(16)23/h3-11H,2,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyRMSPFKMTFVTHHL-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.11
Rot. Bonds5

About N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide

N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide (PubChem CID 43985399) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
PubChem CID43985399
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
SMILESCCc1ccc(NC(=O)COc2cccc3c(=O)[nH]ccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-2-13-6-8-14(9-7-13)21-18(22)12-24-17-5-3-4-16-15(17)10-11-20-19(16)23/h3-11H,2,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyRMSPFKMTFVTHHL-UHFFFAOYSA-N
XLogP3.11
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985456
N-tert-butyl-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985442
N-(4-ethylphenyl)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064512
N-(4-ethoxyphenyl)-2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055983
N-(4-ethylphenyl)-3-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]butanamide
CID 5035424
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide (CID 43985399) is N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide is CCc1ccc(NC(=O)COc2cccc3c(=O)[nH]ccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide?
The InChIKey is RMSPFKMTFVTHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-13-6-8-14(9-7-13)21-18(22)12-24-17-5-3-4-16-15(17)10-11-20-19(16)23/h3-11H,2,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide?
N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide has a molecular weight of 322.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 43985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).