(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione

C19H20N2O3 — CID 742571

IUPAC(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(CCN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-24-16-9-7-14(8-10-16)11-12-20-17-13-18(22)21(19(17)23)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3/t17-/m0/s1
InChIKeyLRDLZCMUUQTTMU-KRWDZBQOSA-N
MW324.38 g/mol
LogP2.16
Rot. Bonds6

About (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione

(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 742571) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID742571
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCOc1ccc(CCN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-24-16-9-7-14(8-10-16)11-12-20-17-13-18(22)21(19(17)23)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3/t17-/m0/s1
InChIKeyLRDLZCMUUQTTMU-KRWDZBQOSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-methoxyphenyl)-3-(3-phenylpropylamino)pyrrolidine-2,5-dione
CID 2162408
4-[2-[[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 7318799
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
1-(4-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 2927944
3-[2-(2-chlorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4106401
1-(4-methoxyphenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 2928646
(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130910
1-ethyl-3-[2-(4-methoxyphenyl)ethylamino]pyrrolidine-2,5-dione
CID 43636432
(3R)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471055
(3S)-1-(4-methoxyphenyl)-3-(3-methoxypropylamino)pyrrolidine-2,5-dione
CID 7471057
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
(3R)-3-(dodecylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98158192

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione (CID 742571) is (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione is COc1ccc(CCN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is LRDLZCMUUQTTMU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-16-9-7-14(8-10-16)11-12-20-17-13-18(22)21(19(17)23)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione?
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 742571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).