2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide

C18H16N2O4 — CID 2993599

IUPAC2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)Nc3ccccc3)cc2C1=O
InChIInChI=1S/C18H16N2O4/c1-24-10-9-20-17(22)14-8-7-12(11-15(14)18(20)23)16(21)19-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyJNGNFIYKMQTPDK-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.18
Rot. Bonds5

About 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide

2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide (PubChem CID 2993599) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide
PubChem CID2993599
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)Nc3ccccc3)cc2C1=O
InChIInChI=1S/C18H16N2O4/c1-24-10-9-20-17(22)14-8-7-12(11-15(14)18(20)23)16(21)19-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyJNGNFIYKMQTPDK-UHFFFAOYSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide (CID 2993599) is 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide is COCCN1C(=O)c2ccc(C(=O)Nc3ccccc3)cc2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide?
The InChIKey is JNGNFIYKMQTPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-10-9-20-17(22)14-8-7-12(11-15(14)18(20)23)16(21)19-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide?
2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,3-dioxo-N-phenylisoindole-5-carboxamide is sourced from PubChem (CID 2993599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).