1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione

C21H23N3O4 — CID 3149577

IUPAC1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1
InChIInChI=1S/C21H23N3O4/c1-27-18-4-2-3-17(13-18)24-20(25)14-19(21(24)26)22-15-5-7-16(8-6-15)23-9-11-28-12-10-23/h2-8,13,19,22H,9-12,14H2,1H3
InChIKeyKSUNWDJROLAHKM-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.28
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione

1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (PubChem CID 3149577) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
PubChem CID3149577
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1
InChIInChI=1S/C21H23N3O4/c1-27-18-4-2-3-17(13-18)24-20(25)14-19(21(24)26)22-15-5-7-16(8-6-15)23-9-11-28-12-10-23/h2-8,13,19,22H,9-12,14H2,1H3
InChIKeyKSUNWDJROLAHKM-UHFFFAOYSA-N
XLogP2.28
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (CID 3149577) is 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is COc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is KSUNWDJROLAHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-27-18-4-2-3-17(13-18)24-20(25)14-19(21(24)26)22-15-5-7-16(8-6-15)23-9-11-28-12-10-23/h2-8,13,19,22H,9-12,14H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 381.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 3149577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).