3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione

C16H22N2O2 — CID 62663417

IUPAC3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
SMILESCC(C)NCCN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-12(2)17-9-10-18-14(19)11-16(3,15(18)20)13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3
InChIKeyCWINZANPAVUUQH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds5

About 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione

3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione (PubChem CID 62663417) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
PubChem CID62663417
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
SMILESCC(C)NCCN1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-12(2)17-9-10-18-14(19)11-16(3,15(18)20)13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3
InChIKeyCWINZANPAVUUQH-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
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 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione (CID 62663417) is 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione is CC(C)NCCN1C(=O)CC(C)(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione?
The InChIKey is CWINZANPAVUUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)17-9-10-18-14(19)11-16(3,15(18)20)13-7-5-4-6-8-13/h4-8,12,17H,9-11H2,1-3H3.
What are the key properties of 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione?
3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 62663417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).