5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione

C16H20N2O3 — CID 63827887

IUPAC5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(CCOC1CCCCC1)C2=O
InChIInChI=1S/C16H20N2O3/c17-11-6-7-13-14(10-11)16(20)18(15(13)19)8-9-21-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2
InChIKeyZPCFCQMEHPPEBY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds4

About 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione

5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione (PubChem CID 63827887) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione
PubChem CID63827887
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(CCOC1CCCCC1)C2=O
InChIInChI=1S/C16H20N2O3/c17-11-6-7-13-14(10-11)16(20)18(15(13)19)8-9-21-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2
InChIKeyZPCFCQMEHPPEBY-UHFFFAOYSA-N
XLogP2.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione (CID 63827887) is 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(CCOC1CCCCC1)C2=O.
What is the InChIKey of 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione?
The InChIKey is ZPCFCQMEHPPEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-11-6-7-13-14(10-11)16(20)18(15(13)19)8-9-21-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2.
What are the key properties of 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione?
5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione has a molecular weight of 288.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 63827887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).