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

C20H18N2O4 — CID 2995155

IUPAC1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C20H18N2O4/c23-18(21-14-5-2-1-3-6-14)13-8-9-16-17(11-13)20(25)22(19(16)24)12-15-7-4-10-26-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,23)
InChIKeyBNTDWOGKMWDPLH-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.71
Rot. Bonds4

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

1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide (PubChem CID 2995155) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide
PubChem CID2995155
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C20H18N2O4/c23-18(21-14-5-2-1-3-6-14)13-8-9-16-17(11-13)20(25)22(19(16)24)12-15-7-4-10-26-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,23)
InChIKeyBNTDWOGKMWDPLH-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.71
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 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide (CID 2995155) is 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide?
The InChIKey is BNTDWOGKMWDPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18(21-14-5-2-1-3-6-14)13-8-9-16-17(11-13)20(25)22(19(16)24)12-15-7-4-10-26-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,23).
What are the key properties of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide?
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-phenylisoindole-5-carboxamide is sourced from PubChem (CID 2995155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).