1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione

C27H36N2O2 — CID 118410035

IUPAC1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione
SMILESCCC(CC(c1ccccc1)C1C(=O)N(CCCN(C)C)C(=O)C1C)c1ccccc1
InChIInChI=1S/C27H36N2O2/c1-5-21(22-13-8-6-9-14-22)19-24(23-15-10-7-11-16-23)25-20(2)26(30)29(27(25)31)18-12-17-28(3)4/h6-11,13-16,20-21,24-25H,5,12,17-19H2,1-4H3
InChIKeyATNNMACAXPMDIJ-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.93
Rot. Bonds10

About 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 118410035) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione
PubChem CID118410035
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione
SMILESCCC(CC(c1ccccc1)C1C(=O)N(CCCN(C)C)C(=O)C1C)c1ccccc1
InChIInChI=1S/C27H36N2O2/c1-5-21(22-13-8-6-9-14-22)19-24(23-15-10-7-11-16-23)25-20(2)26(30)29(27(25)31)18-12-17-28(3)4/h6-11,13-16,20-21,24-25H,5,12,17-19H2,1-4H3
InChIKeyATNNMACAXPMDIJ-UHFFFAOYSA-N
XLogP4.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.93
H-Bond Donors ≤ 50
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 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione (CID 118410035) is 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione is CCC(CC(c1ccccc1)C1C(=O)N(CCCN(C)C)C(=O)C1C)c1ccccc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is ATNNMACAXPMDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-5-21(22-13-8-6-9-14-22)19-24(23-15-10-7-11-16-23)25-20(2)26(30)29(27(25)31)18-12-17-28(3)4/h6-11,13-16,20-21,24-25H,5,12,17-19H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 420.60 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(1,3-diphenylpentyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 118410035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).