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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Related Compounds

N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide
CID 58708248
N-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-2-cyclohexylacetamide
CID 140549487
2-[(2-benzyl-1-oxo-3H-isoindol-5-yl)amino]-5-chlorobenzoic acid
CID 90153148
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
N-(4-chloro-3-hydroxyphenyl)-2-cyclopentylacetamide
CID 64788662
2-cyclopropyl-N-phenylacetamide
CID 60753326
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
2-cyclohexyl-N-(4-phenoxyphenyl)acetamide
CID 806029

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).