3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione

C24H28N2O3 — CID 110565810

IUPAC3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)Cc2ccccc2)C1=O
InChIInChI=1S/C24H28N2O3/c1-4-6-16-26-23(27)21(19-14-10-11-15-20(19)29-3)22(24(26)28)25(5-2)17-18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
InChIKeyQIYQMLZAWXWWNK-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.10
Rot. Bonds9

About 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione

3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110565810) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110565810
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)Cc2ccccc2)C1=O
InChIInChI=1S/C24H28N2O3/c1-4-6-16-26-23(27)21(19-14-10-11-15-20(19)29-3)22(24(26)28)25(5-2)17-18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
InChIKeyQIYQMLZAWXWWNK-UHFFFAOYSA-N
XLogP4.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110565810) is 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione is CCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)Cc2ccccc2)C1=O.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is QIYQMLZAWXWWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-6-16-26-23(27)21(19-14-10-11-15-20(19)29-3)22(24(26)28)25(5-2)17-18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 392.50 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110565810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).