N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide

C17H14N2O4 — CID 2953904

IUPACN-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C17H14N2O4/c1-23-14-5-3-2-4-10(14)8-15(20)18-11-6-7-12-13(9-11)17(22)19-16(12)21/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyYAFURKYVZHYYFH-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.76
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide

N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 2953904) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID2953904
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C17H14N2O4/c1-23-14-5-3-2-4-10(14)8-15(20)18-11-6-7-12-13(9-11)17(22)19-16(12)21/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyYAFURKYVZHYYFH-UHFFFAOYSA-N
XLogP1.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
2-methoxy-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 11594984
Methyl 4-[(1,3-dioxoisoindol-5-yl)carbamoyl]benzoate
CID 823524
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
N-(4-methoxyphenyl)-2-methylbenzamide
CID 531865
1H-Isoindole-1,3(2H)-dione, 2-(4-methoxy-2-methylphenyl)-
CID 10492042
N-(4-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide
CID 11552973
2-methoxy-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 11609502
N-{4-[2-(4-Methoxyphenyl)ethyl]phenyl}phthalimide
CID 44537911
3-(2-Methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
CID 134822023

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide (CID 2953904) is N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is YAFURKYVZHYYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-14-5-3-2-4-10(14)8-15(20)18-11-6-7-12-13(9-11)17(22)19-16(12)21/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide?
N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2953904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).