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

C17H14N2O4 — CID 4970551

IUPACN-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C17H14N2O4/c1-10-3-2-4-12(7-10)23-9-15(20)18-11-5-6-13-14(8-11)17(22)19-16(13)21/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyIWTQPRWKWZGMQY-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.90
Rot. Bonds4

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

N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 4970551) 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-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide
PubChem CID4970551
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C17H14N2O4/c1-10-3-2-4-12(7-10)23-9-15(20)18-11-5-6-13-14(8-11)17(22)19-16(13)21/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyIWTQPRWKWZGMQY-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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-(3-methylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide (CID 4970551) is N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is IWTQPRWKWZGMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10-3-2-4-12(7-10)23-9-15(20)18-11-5-6-13-14(8-11)17(22)19-16(13)21/h2-8H,9H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide?
N-(1,3-dioxoisoindol-5-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.90, 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 4970551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).