2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide

C20H20N2O4 — CID 9425239

IUPAC2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)CN2C(=O)Cc3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O4/c1-14-6-8-16(9-7-14)26-11-10-21-18(23)13-22-19(24)12-15-4-2-3-5-17(15)20(22)25/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyHAYSUMHVRJKNPO-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.72
Rot. Bonds6

About 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 9425239) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID9425239
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)CN2C(=O)Cc3ccccc3C2=O)cc1
InChIInChI=1S/C20H20N2O4/c1-14-6-8-16(9-7-14)26-11-10-21-18(23)13-22-19(24)12-15-4-2-3-5-17(15)20(22)25/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyHAYSUMHVRJKNPO-UHFFFAOYSA-N
XLogP1.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19171375
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetohydrazide
CID 9322183
(4-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670574
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51417174
N-[[4-(dimethylamino)phenyl]methyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 9305460
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N'-methyl-N'-phenylacetohydrazide
CID 9480265
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18121427
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 9365776
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 9425239) is 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)CN2C(=O)Cc3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is HAYSUMHVRJKNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14-6-8-16(9-7-14)26-11-10-21-18(23)13-22-19(24)12-15-4-2-3-5-17(15)20(22)25/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 9425239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).