3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione

C16H22N2O2 — CID 106913203

IUPAC3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCNCc1ccc(N2C(=O)CC(C)(C(C)C)C2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)16(3)9-14(19)18(15(16)20)13-7-5-12(6-8-13)10-17-4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyIHWYREFYRDNWFM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.33
Rot. Bonds4

About 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione

3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 106913203) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID106913203
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCNCc1ccc(N2C(=O)CC(C)(C(C)C)C2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)16(3)9-14(19)18(15(16)20)13-7-5-12(6-8-13)10-17-4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyIHWYREFYRDNWFM-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437343
1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 62303702
1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61350558
1-(4-bromo-3-chlorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 107612846
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63650964
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437275
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
CID 43437399
1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 107698094
1-[4-[(propan-2-ylamino)methyl]phenyl]piperidine-2,6-dione
CID 106913349
1-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 60813659
1-(4-aminophenyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 117041280

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 106913203) is 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione is CNCc1ccc(N2C(=O)CC(C)(C(C)C)C2=O)cc1.
What is the InChIKey of 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is IHWYREFYRDNWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)16(3)9-14(19)18(15(16)20)13-7-5-12(6-8-13)10-17-4/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 106913203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).