Chemical ID: 6817662

CCOc1ccc(cc1)NC(=O)N2CCCC2c3ccc(c(c3)OC)OC
Chemical ID:
6817662
Name [?]:
2-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-pyrrolidine-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)N2CCCC2c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H26N2O4/c1-4-27-17-10-8-16(9-11-17)22-21(24)23-13-5-6-18(23)15-7-12-19(25-2)20(14-15)26-3/h7-12,14,18H,4-6,13H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,15,16,19,6,8,5,9,20,14,23,18,7,4,17,21,22,11,10,13,12,26,24,3/E:(8,9)(10,11)/rA:27cCCOCCCCCCNCONCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s13s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O4
All Atoms:53
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.1781
Area:597.018
Solvation:-6.74736
Coulombic:-51.6459
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:370.442
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.28
LogP (Chemaxon):3.35

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