1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide

C23H24N2O4 — CID 2924693

IUPAC1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1
InChIInChI=1S/C23H24N2O4/c1-14(2)15-5-8-17(9-6-15)24-21(26)16-7-10-19-20(12-16)23(28)25(22(19)27)13-18-4-3-11-29-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,24,26)
InChIKeyAOJOSNFHKNWLJS-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.84
Rot. Bonds5

About 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide

1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide (PubChem CID 2924693) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide
PubChem CID2924693
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1
InChIInChI=1S/C23H24N2O4/c1-14(2)15-5-8-17(9-6-15)24-21(26)16-7-10-19-20(12-16)23(28)25(22(19)27)13-18-4-3-11-29-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,24,26)
InChIKeyAOJOSNFHKNWLJS-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.84
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-(4-propan-2-ylphenyl)isoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide (CID 2924693) is 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide is CC(C)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1.
What is the InChIKey of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide?
The InChIKey is AOJOSNFHKNWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14(2)15-5-8-17(9-6-15)24-21(26)16-7-10-19-20(12-16)23(28)25(22(19)27)13-18-4-3-11-29-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,24,26).
What are the key properties of 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide?
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)isoindole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.84, 5 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-(4-propan-2-ylphenyl)isoindole-5-carboxamide is sourced from PubChem (CID 2924693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).