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

C17H23N3O4 — CID 2242316

IUPAC(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@H](Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C17H23N3O4/c1-23-9-8-20-16(21)12-15(17(20)22)18-13-2-4-14(5-3-13)19-6-10-24-11-7-19/h2-5,15,18H,6-12H2,1H3/t15-/m1/s1
InChIKeyHKMXEBZRPQXHEY-OAHLLOKOSA-N
MW333.39 g/mol
LogP0.71
Rot. Bonds6

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

(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (PubChem CID 2242316) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
PubChem CID2242316
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@H](Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C17H23N3O4/c1-23-9-8-20-16(21)12-15(17(20)22)18-13-2-4-14(5-3-13)19-6-10-24-11-7-19/h2-5,15,18H,6-12H2,1H3/t15-/m1/s1
InChIKeyHKMXEBZRPQXHEY-OAHLLOKOSA-N
XLogP0.71
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.71
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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Related Compounds

(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7186089
(3S)-1-butyl-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione
CID 7366431
(3S)-1-(4-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 986889
1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione
CID 63179546
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 98289728
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
(3S)-1-(4-iodophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 40588175
(3S)-1-[4-(dimethylamino)phenyl]-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1090068
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183
(3R)-1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1143854
3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947390

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (CID 2242316) is (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is COCCN1C(=O)C[C@@H](Nc2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is HKMXEBZRPQXHEY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-23-9-8-20-16(21)12-15(17(20)22)18-13-2-4-14(5-3-13)19-6-10-24-11-7-19/h2-5,15,18H,6-12H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 333.39 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2242316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).