(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione

C15H21N3O3 — CID 7186089

IUPAC(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C15H21N3O3/c1-17(2)12-6-4-11(5-7-12)16-13-10-14(19)18(15(13)20)8-9-21-3/h4-7,13,16H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyJHZPTZRWIWTLMZ-ZDUSSCGKSA-N
MW291.35 g/mol
LogP0.94
Rot. Bonds6

About (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione

(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione (PubChem CID 7186089) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
PubChem CID7186089
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C15H21N3O3/c1-17(2)12-6-4-11(5-7-12)16-13-10-14(19)18(15(13)20)8-9-21-3/h4-7,13,16H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyJHZPTZRWIWTLMZ-ZDUSSCGKSA-N
XLogP0.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione
CID 92537847
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 98289728
(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2242316
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
methyl 4-[(3S)-3-[4-(dimethylamino)anilino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27762789
3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
CID 43636391
3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione
CID 115377431
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928102
(3S)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7928103
1-ethyl-3-[3-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 60933482
(3S)-1-[4-(dimethylamino)phenyl]-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1090068
1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43636158

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione (CID 7186089) is (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione is COCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is JHZPTZRWIWTLMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)12-6-4-11(5-7-12)16-13-10-14(19)18(15(13)20)8-9-21-3/h4-7,13,16H,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 291.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7186089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).