2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide

C22H30N2O2 — CID 4252906

IUPAC2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCC1)C1c2ccccc2C(=O)N1C1CCCCCCC1
InChIInChI=1S/C22H30N2O2/c25-21(23-16-10-6-7-11-16)20-18-14-8-9-15-19(18)22(26)24(20)17-12-4-2-1-3-5-13-17/h8-9,14-17,20H,1-7,10-13H2,(H,23,25)
InChIKeyNTEOERRGNURQLA-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.36
Rot. Bonds3

About 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide

2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 4252906) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
PubChem CID4252906
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCC1)C1c2ccccc2C(=O)N1C1CCCCCCC1
InChIInChI=1S/C22H30N2O2/c25-21(23-16-10-6-7-11-16)20-18-14-8-9-15-19(18)22(26)24(20)17-12-4-2-1-3-5-13-17/h8-9,14-17,20H,1-7,10-13H2,(H,23,25)
InChIKeyNTEOERRGNURQLA-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
CID 3238693
N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68771680
N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
CID 53243914
N-butan-2-yl-2-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
CID 4279148
2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 10808642
(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
CID 41068708
2-cyclopentyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4644788
N-cycloheptyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 4247773
N-cyclohexyl-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide
CID 11840716
N-cycloheptyl-3-oxo-2-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-isoindole-1-carboxamide
CID 4063441
N-cyclohexyl-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 4616932

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide (CID 4252906) is 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide is O=C(NC1CCCC1)C1c2ccccc2C(=O)N1C1CCCCCCC1.
What is the InChIKey of 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is NTEOERRGNURQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21(23-16-10-6-7-11-16)20-18-14-8-9-15-19(18)22(26)24(20)17-12-4-2-1-3-5-13-17/h8-9,14-17,20H,1-7,10-13H2,(H,23,25).
What are the key properties of 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 4252906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).