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

C20H26N2O2 — CID 3293225

IUPACN-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2C(=O)N1C1CCCC1
InChIInChI=1S/C20H26N2O2/c23-19(21-14-8-2-1-3-9-14)18-16-12-6-7-13-17(16)20(24)22(18)15-10-4-5-11-15/h6-7,12-15,18H,1-5,8-11H2,(H,21,23)
InChIKeyWPUGUJFXAANZEE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.58
Rot. Bonds3

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

N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 3293225) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
PubChem CID3293225
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2C(=O)N1C1CCCC1
InChIInChI=1S/C20H26N2O2/c23-19(21-14-8-2-1-3-9-14)18-16-12-6-7-13-17(16)20(24)22(18)15-10-4-5-11-15/h6-7,12-15,18H,1-5,8-11H2,(H,21,23)
InChIKeyWPUGUJFXAANZEE-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4252906
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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 N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide (CID 3293225) is N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide is O=C(NC1CCCCC1)C1c2ccccc2C(=O)N1C1CCCC1.
What is the InChIKey of N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is WPUGUJFXAANZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(21-14-8-2-1-3-9-14)18-16-12-6-7-13-17(16)20(24)22(18)15-10-4-5-11-15/h6-7,12-15,18H,1-5,8-11H2,(H,21,23).
What are the key properties of N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide?
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 3293225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).