2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione

C23H28N2O3 — CID 14566704

IUPAC2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione
SMILESCOc1ccccc1CCCN(C)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H28N2O3/c1-24(16-9-11-18-10-3-6-14-21(18)28-2)15-7-8-17-25-22(26)19-12-4-5-13-20(19)23(25)27/h3-6,10,12-14H,7-9,11,15-17H2,1-2H3
InChIKeyVZYQUZIQMHXQQY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.64
Rot. Bonds10

About 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione

2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione (PubChem CID 14566704) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione
PubChem CID14566704
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione
SMILESCOc1ccccc1CCCN(C)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H28N2O3/c1-24(16-9-11-18-10-3-6-14-21(18)28-2)15-7-8-17-25-22(26)19-12-4-5-13-20(19)23(25)27/h3-6,10,12-14H,7-9,11,15-17H2,1-2H3
InChIKeyVZYQUZIQMHXQQY-UHFFFAOYSA-N
XLogP3.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione (CID 14566704) is 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione is COc1ccccc1CCCN(C)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione?
The InChIKey is VZYQUZIQMHXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-24(16-9-11-18-10-3-6-14-21(18)28-2)15-7-8-17-25-22(26)19-12-4-5-13-20(19)23(25)27/h3-6,10,12-14H,7-9,11,15-17H2,1-2H3.
What are the key properties of 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione?
2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione has a molecular weight of 380.49 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyphenyl)propyl-methylamino]butyl]isoindole-1,3-dione is sourced from PubChem (CID 14566704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).