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

C22H25N3O4 — CID 3149582

IUPAC1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C22H25N3O4/c1-2-29-20-6-4-3-5-19(20)25-21(26)15-18(22(25)27)23-16-7-9-17(10-8-16)24-11-13-28-14-12-24/h3-10,18,23H,2,11-15H2,1H3
InChIKeyAKGUENMWHJKLQR-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.67
Rot. Bonds6

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

1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (PubChem CID 3149582) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
PubChem CID3149582
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C22H25N3O4/c1-2-29-20-6-4-3-5-19(20)25-21(26)15-18(22(25)27)23-16-7-9-17(10-8-16)24-11-13-28-14-12-24/h3-10,18,23H,2,11-15H2,1H3
InChIKeyAKGUENMWHJKLQR-UHFFFAOYSA-N
XLogP2.67
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.67
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-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (CID 3149582) is 1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is CCOc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is AKGUENMWHJKLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-29-20-6-4-3-5-19(20)25-21(26)15-18(22(25)27)23-16-7-9-17(10-8-16)24-11-13-28-14-12-24/h3-10,18,23H,2,11-15H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 395.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 3149582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).