Chemical ID: 5458654

Cc1cccc(c1N2C(=O)CC(C2=O)Nc3cccc(c3)OC)C
Chemical ID:
5458654
Name [?]:
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)amino-pyrrolidine-2,5-dione
SMILES [?]:
Cc1cccc(c1N2C(=O)CC(C2=O)Nc3cccc(c3)OC)C
InChi [?]:
InChI=1/C19H20N2O3/c1-12-6-4-7-13(2)18(12)21-17(22)11-16(19(21)23)20-14-8-5-9-15(10-14)24-3/h4-10,16,20H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,4,18,3,5,17,19,21,11,2,6,16,20,12,9,7,13,15,8,10,14,22/E:(1,2)(6,7)(12,13)/rA:24cCCCCCCCNCOCCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s8s12;d13;s12;s15;s16;d17;s18;d19;d16s20;s20;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.07634
Area:519.738
Solvation:-4.91711
Coulombic:-42.9722
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.374
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.94
LogP (Chemaxon):2.99

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue