N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide

C22H24N2O2 — CID 58707585

IUPACN-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1ccc2c(c1)CN(Cc1ccccc1)C2=O
InChIInChI=1S/C22H24N2O2/c25-21(12-16-6-4-5-7-16)23-19-10-11-20-18(13-19)15-24(22(20)26)14-17-8-2-1-3-9-17/h1-3,8-11,13,16H,4-7,12,14-15H2,(H,23,25)
InChIKeyDZMYAPGRXPMHNQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.36
Rot. Bonds5

About N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide

N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide (PubChem CID 58707585) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide
PubChem CID58707585
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)Nc1ccc2c(c1)CN(Cc1ccccc1)C2=O
InChIInChI=1S/C22H24N2O2/c25-21(12-16-6-4-5-7-16)23-19-10-11-20-18(13-19)15-24(22(20)26)14-17-8-2-1-3-9-17/h1-3,8-11,13,16H,4-7,12,14-15H2,(H,23,25)
InChIKeyDZMYAPGRXPMHNQ-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide?
The IUPAC name of N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide (CID 58707585) is N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide?
The canonical SMILES for N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide is O=C(CC1CCCC1)Nc1ccc2c(c1)CN(Cc1ccccc1)C2=O.
What is the InChIKey of N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide?
The InChIKey is DZMYAPGRXPMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(12-16-6-4-5-7-16)23-19-10-11-20-18(13-19)15-24(22(20)26)14-17-8-2-1-3-9-17/h1-3,8-11,13,16H,4-7,12,14-15H2,(H,23,25).
What are the key properties of N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide?
N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide has a molecular weight of 348.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-2-cyclopentylacetamide is sourced from PubChem (CID 58707585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).