2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione

C19H24N2O6 — CID 3095242

IUPAC2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O6/c1-14(21-18(23)15-4-2-3-5-16(15)19(21)24)17(22)20-6-8-25-10-12-27-13-11-26-9-7-20/h2-5,14H,6-13H2,1H3
InChIKeyGNWGBUBTLJDCHE-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.56
Rot. Bonds2

About 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione

2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione (PubChem CID 3095242) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione
PubChem CID3095242
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1CCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O6/c1-14(21-18(23)15-4-2-3-5-16(15)19(21)24)17(22)20-6-8-25-10-12-27-13-11-26-9-7-20/h2-5,14H,6-13H2,1H3
InChIKeyGNWGBUBTLJDCHE-UHFFFAOYSA-N
XLogP0.56
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione (CID 3095242) is 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione is CC(C(=O)N1CCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione?
The InChIKey is GNWGBUBTLJDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-14(21-18(23)15-4-2-3-5-16(15)19(21)24)17(22)20-6-8-25-10-12-27-13-11-26-9-7-20/h2-5,14H,6-13H2,1H3.
What are the key properties of 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione?
2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione has a molecular weight of 376.41 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 3095242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).