3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione

C15H20N2O2 — CID 61348826

IUPAC3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
SMILESCNCCCN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-15(12-7-4-3-5-8-12)11-13(18)17(14(15)19)10-6-9-16-2/h3-5,7-8,16H,6,9-11H2,1-2H3
InChIKeyQAPSARXTFRNOHA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.31
Rot. Bonds5

About 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione

3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 61348826) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID61348826
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
SMILESCNCCCN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-15(12-7-4-3-5-8-12)11-13(18)17(14(15)19)10-6-9-16-2/h3-5,7-8,16H,6,9-11H2,1-2H3
InChIKeyQAPSARXTFRNOHA-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 62663417
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 70675869
1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61349210
1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
CID 70675866
methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 124614160
3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 65297434
1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122138338
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 60977307
1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione
CID 89315616
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanamide
CID 86207634

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione (CID 61348826) is 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione is CNCCCN1C(=O)CC(C)(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is QAPSARXTFRNOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(12-7-4-3-5-8-12)11-13(18)17(14(15)19)10-6-9-16-2/h3-5,7-8,16H,6,9-11H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 61348826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).