N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

C22H24N2O3 — CID 45106201

IUPACN-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3c2C(=O)N(CC2CCCO2)C3)c1C
InChIInChI=1S/C22H24N2O3/c1-14-6-3-10-19(15(14)2)23-21(25)18-9-4-7-16-12-24(22(26)20(16)18)13-17-8-5-11-27-17/h3-4,6-7,9-10,17H,5,8,11-13H2,1-2H3,(H,23,25)
InChIKeySCUBTEWQDODNSL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.69
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 45106201) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID45106201
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3c2C(=O)N(CC2CCCO2)C3)c1C
InChIInChI=1S/C22H24N2O3/c1-14-6-3-10-19(15(14)2)23-21(25)18-9-4-7-16-12-24(22(26)20(16)18)13-17-8-5-11-27-17/h3-4,6-7,9-10,17H,5,8,11-13H2,1-2H3,(H,23,25)
InChIKeySCUBTEWQDODNSL-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide (CID 45106201) is N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide is Cc1cccc(NC(=O)c2cccc3c2C(=O)N(CC2CCCO2)C3)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is SCUBTEWQDODNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-6-3-10-19(15(14)2)23-21(25)18-9-4-7-16-12-24(22(26)20(16)18)13-17-8-5-11-27-17/h3-4,6-7,9-10,17H,5,8,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 45106201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).