2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide

C22H30N2O3 — CID 3236023

IUPAC2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCC1CCCO1)C1c2ccccc2C(=O)N1C1CCCCCCC1
InChIInChI=1S/C22H30N2O3/c25-21(23-15-17-11-8-14-27-17)20-18-12-6-7-13-19(18)22(26)24(20)16-9-4-2-1-3-5-10-16/h6-7,12-13,16-17,20H,1-5,8-11,14-15H2,(H,23,25)
InChIKeyFLJJFLPHXYYLAX-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.59
Rot. Bonds4

About 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide

2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide (PubChem CID 3236023) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
PubChem CID3236023
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCC1CCCO1)C1c2ccccc2C(=O)N1C1CCCCCCC1
InChIInChI=1S/C22H30N2O3/c25-21(23-15-17-11-8-14-27-17)20-18-12-6-7-13-19(18)22(26)24(20)16-9-4-2-1-3-5-10-16/h6-7,12-13,16-17,20H,1-5,8-11,14-15H2,(H,23,25)
InChIKeyFLJJFLPHXYYLAX-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2883188
(2S)-5-oxo-1-(3-oxo-1,3-dihydroisobenzofuran-1-yl)-N-((tetrahydrofuran-2-yl)methyl)pyrrolidine-2-carboxamide
CID 16399052
(3R)-5-oxo-N-((tetrahydrofuran-2-yl)methyl)-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide
CID 665829
2-(1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 2228801
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2953906
2-(3-methylbutyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 2965911
4-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 3148096
N-cycloheptyl-2-isopropyl-3-oxoisoindoline-1-carboxamide
CID 3238693
N-cycloheptyl-2-(3-methoxypropyl)-3-oxoisoindoline-1-carboxamide
CID 3239212
2-sec-butyl-N-cycloheptyl-3-oxoisoindoline-1-carboxamide
CID 3241153
5-oxo-1-(2-phenylethyl)-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3241684
2-(4-ethylbenzyl)-3-oxo-N-(tetrahydrofuran-2-ylmethyl)isoindoline-1-carboxamide
CID 6625050

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide (CID 3236023) is 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide is O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1C1CCCCCCC1.
What is the InChIKey of 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The InChIKey is FLJJFLPHXYYLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-21(23-15-17-11-8-14-27-17)20-18-12-6-7-13-19(18)22(26)24(20)16-9-4-2-1-3-5-10-16/h6-7,12-13,16-17,20H,1-5,8-11,14-15H2,(H,23,25).
What are the key properties of 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 3236023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).