5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione

C16H20N2O3 — CID 43759039

IUPAC5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione
SMILESCOC1CCCCC1Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H20N2O3/c1-18-15(19)11-8-7-10(9-12(11)16(18)20)17-13-5-3-4-6-14(13)21-2/h7-9,13-14,17H,3-6H2,1-2H3
InChIKeyCFKZCVSGFVBOAG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.28
Rot. Bonds3

About 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione

5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione (PubChem CID 43759039) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione
PubChem CID43759039
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione
SMILESCOC1CCCCC1Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H20N2O3/c1-18-15(19)11-8-7-10(9-12(11)16(18)20)17-13-5-3-4-6-14(13)21-2/h7-9,13-14,17H,3-6H2,1-2H3
InChIKeyCFKZCVSGFVBOAG-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile
CID 62743306
5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione
CID 61310513
N-(2-methoxycyclohexyl)-1H-indol-5-amine
CID 43768693
1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 43780088
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003
4-chloro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785754
4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785721
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
CID 106632832
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline
CID 55033416
2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 79467242
2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
CID 79699723
N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43781224

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione (CID 43759039) is 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione is COC1CCCCC1Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione?
The InChIKey is CFKZCVSGFVBOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18-15(19)11-8-7-10(9-12(11)16(18)20)17-13-5-3-4-6-14(13)21-2/h7-9,13-14,17H,3-6H2,1-2H3.
What are the key properties of 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione?
5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione has a molecular weight of 288.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxycyclohexyl)amino]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 43759039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).