Chemical ID: 3960543

Cc1ccccc1NC(=O)N2CCCC2C(=O)Nc3ccc(c(c3)OC)OC
Chemical ID:
3960543
Name [?]:
N'-(3,4-dimethoxyphenyl)-N-(o-tolyl)pyrrolidine-1,2-dicarboxamide
SMILES [?]:
Cc1ccccc1NC(=O)N2CCCC2C(=O)Nc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H25N3O4/c1-14-7-4-5-8-16(14)23-21(26)24-12-6-9-17(24)20(25)22-15-10-11-18(27-2)19(13-15)28-3/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,26,4,5,13,3,6,14,20,21,12,24,2,19,7,15,22,23,16,9,18,8,11,17,10,27,25/rA:28cCCCCCCCNCONCCCCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.18325
Area:605.139
Solvation:-6.94523
Coulombic:-64.0933
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.441
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.19
LogP (Chemaxon):2.51

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