(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione

C18H18N2O3 — CID 51511443

IUPAC(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
SMILESCc1ccc(Oc2ccc(N[C@@H]3CC(=O)N(C)C3=O)cc2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-3-7-14(8-4-12)23-15-9-5-13(6-10-15)19-16-11-17(21)20(2)18(16)22/h3-10,16,19H,11H2,1-2H3/t16-/m1/s1
InChIKeyXVBBYRWWUOGKNI-MRXNPFEDSA-N
MW310.35 g/mol
LogP2.96
Rot. Bonds4

About (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione

(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione (PubChem CID 51511443) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
PubChem CID51511443
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
SMILESCc1ccc(Oc2ccc(N[C@@H]3CC(=O)N(C)C3=O)cc2)cc1
InChIInChI=1S/C18H18N2O3/c1-12-3-7-14(8-4-12)23-15-9-5-13(6-10-15)19-16-11-17(21)20(2)18(16)22/h3-10,16,19H,11H2,1-2H3/t16-/m1/s1
InChIKeyXVBBYRWWUOGKNI-MRXNPFEDSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione (CID 51511443) is (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione is Cc1ccc(Oc2ccc(N[C@@H]3CC(=O)N(C)C3=O)cc2)cc1.
What is the InChIKey of (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione?
The InChIKey is XVBBYRWWUOGKNI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-3-7-14(8-4-12)23-15-9-5-13(6-10-15)19-16-11-17(21)20(2)18(16)22/h3-10,16,19H,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione?
(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione has a molecular weight of 310.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 51511443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).