1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione

C15H20N2O2 — CID 55153501

IUPAC1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione
SMILESCC(CCNC1CC(=O)N(C)C1=O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(12-6-4-3-5-7-12)8-9-16-13-10-14(18)17(2)15(13)19/h3-7,11,13,16H,8-10H2,1-2H3
InChIKeyKTRCUMKQGUODHS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.53
Rot. Bonds5

About 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione

1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione (PubChem CID 55153501) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione
PubChem CID55153501
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione
SMILESCC(CCNC1CC(=O)N(C)C1=O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(12-6-4-3-5-7-12)8-9-16-13-10-14(18)17(2)15(13)19/h3-7,11,13,16H,8-10H2,1-2H3
InChIKeyKTRCUMKQGUODHS-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
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-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione (CID 55153501) is 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione is CC(CCNC1CC(=O)N(C)C1=O)c1ccccc1.
What is the InChIKey of 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione?
The InChIKey is KTRCUMKQGUODHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(12-6-4-3-5-7-12)8-9-16-13-10-14(18)17(2)15(13)19/h3-7,11,13,16H,8-10H2,1-2H3.
What are the key properties of 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione?
1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 55153501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).