2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione

C18H18N2O2 — CID 142737022

IUPAC2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione
SMILESCC(NCCc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N2O2/c1-13(19-12-11-14-7-3-2-4-8-14)20-17(21)15-9-5-6-10-16(15)18(20)22/h2-10,13,19H,11-12H2,1H3
InChIKeyYAQVGASRFKDVIE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.46
Rot. Bonds5

About 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione

2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione (PubChem CID 142737022) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione
PubChem CID142737022
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione
SMILESCC(NCCc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N2O2/c1-13(19-12-11-14-7-3-2-4-8-14)20-17(21)15-9-5-6-10-16(15)18(20)22/h2-10,13,19H,11-12H2,1H3
InChIKeyYAQVGASRFKDVIE-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione (CID 142737022) is 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione is CC(NCCc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione?
The InChIKey is YAQVGASRFKDVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(19-12-11-14-7-3-2-4-8-14)20-17(21)15-9-5-6-10-16(15)18(20)22/h2-10,13,19H,11-12H2,1H3.
What are the key properties of 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione?
2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione has a molecular weight of 294.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 142737022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).