N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C19H19N3O2 — CID 138057275

IUPACN-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN1C(=O)c2ccccc2C1CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C19H19N3O2/c1-22-17(15-4-2-3-5-16(15)19(22)24)11-21-18(23)12-6-7-13-9-20-10-14(13)8-12/h2-8,17,20H,9-11H2,1H3,(H,21,23)
InChIKeyAZGSREBAOXBDHA-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.85
Rot. Bonds3

About N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 138057275) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID138057275
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN1C(=O)c2ccccc2C1CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C19H19N3O2/c1-22-17(15-4-2-3-5-16(15)19(22)24)11-21-18(23)12-6-7-13-9-20-10-14(13)8-12/h2-8,17,20H,9-11H2,1H3,(H,21,23)
InChIKeyAZGSREBAOXBDHA-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 138057275) is N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is CN1C(=O)c2ccccc2C1CNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is AZGSREBAOXBDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-17(15-4-2-3-5-16(15)19(22)24)11-21-18(23)12-6-7-13-9-20-10-14(13)8-12/h2-8,17,20H,9-11H2,1H3,(H,21,23).
What are the key properties of N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-oxo-1H-isoindol-1-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 138057275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).