1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C15H20N2O3 — CID 61350558

IUPAC1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCOc1cc(N2C(=O)CC(C)(C(C)C)C2=O)ccc1N
InChIInChI=1S/C15H20N2O3/c1-9(2)15(3)8-13(18)17(14(15)19)10-5-6-11(16)12(7-10)20-4/h5-7,9H,8,16H2,1-4H3
InChIKeyBUQITYJAEBSGSZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.20
Rot. Bonds3

About 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 61350558) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID61350558
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCOc1cc(N2C(=O)CC(C)(C(C)C)C2=O)ccc1N
InChIInChI=1S/C15H20N2O3/c1-9(2)15(3)8-13(18)17(14(15)19)10-5-6-11(16)12(7-10)20-4/h5-7,9H,8,16H2,1-4H3
InChIKeyBUQITYJAEBSGSZ-UHFFFAOYSA-N
XLogP2.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 61350558) is 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is COc1cc(N2C(=O)CC(C)(C(C)C)C2=O)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is BUQITYJAEBSGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)15(3)8-13(18)17(14(15)19)10-5-6-11(16)12(7-10)20-4/h5-7,9H,8,16H2,1-4H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 61350558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).