1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione

C17H24N2O2 — CID 664673

IUPAC1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
SMILESCCCN(CCC)C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-10-18(11-4-2)15-12-16(20)19(17(15)21)13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyBCCBFBZEOXHEKN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.44
Rot. Bonds7

About 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione

1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione (PubChem CID 664673) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
PubChem CID664673
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
SMILESCCCN(CCC)C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-10-18(11-4-2)15-12-16(20)19(17(15)21)13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyBCCBFBZEOXHEKN-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.44
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-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione (CID 664673) is 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione is CCCN(CCC)C1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione?
The InChIKey is BCCBFBZEOXHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-10-18(11-4-2)15-12-16(20)19(17(15)21)13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione?
1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 664673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).