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

C16H23N3O2 — CID 92537847

IUPAC(3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-4-5-10-19-15(20)11-14(16(19)21)17-12-6-8-13(9-7-12)18(2)3/h6-9,14,17H,4-5,10-11H2,1-3H3/t14-/m0/s1
InChIKeyRMOAOQLOOYIDOP-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds6

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

(3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione (PubChem CID 92537847) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione
PubChem CID92537847
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-4-5-10-19-15(20)11-14(16(19)21)17-12-6-8-13(9-7-12)18(2)3/h6-9,14,17H,4-5,10-11H2,1-3H3/t14-/m0/s1
InChIKeyRMOAOQLOOYIDOP-AWEZNQCLSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
CID 43636391
3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione
CID 115377431
1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
CID 62809172
1-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 54867303
(3S)-1-[4-(dimethylamino)phenyl]-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1090068
1-ethyl-3-(4-pyrrolidin-1-ylanilino)pyrrolidine-2,5-dione
CID 63179546
(3R)-3-(4-methylsulfanylanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 51509569
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
3-(4-methyl-3-nitroanilino)-1-propylpyrrolidine-2,5-dione
CID 43636508

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione (CID 92537847) is (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione is CCCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione?
The InChIKey is RMOAOQLOOYIDOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-10-19-15(20)11-14(16(19)21)17-12-6-8-13(9-7-12)18(2)3/h6-9,14,17H,4-5,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione?
(3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 92537847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).