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Chemical ID: 6817662
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
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Experimental Annotations
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Descriptor Annotations
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