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Chemical ID: 5574819
Chemical ID:
5574819
Name [?]:
3-(4-benzyloxy-3-methoxy-phenyl)-N-[2-(4-benzyloxy-3-methoxy-phenyl)ethyl]propanamide
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)CCC(=O)NCCc3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
InChI=1/C33H35NO5/c1-36-31-21-25(13-16-29(31)38-23-27-9-5-3-6-10-27)15-18-33(35)34-20-19-26-14-17-30(32(22-26)37-2)39-24-28-11-7-4-8-12-28/h3-14,16-17,21-22H,15,18-20,23-24H2,1-2H3,(H,34,35)
InChi Info:
AuxInfo=1/1/N:1,31,14,37,13,15,36,38,12,16,35,39,6,25,17,7,26,18,23,22,4,29,10,33,5,24,11,34,8,27,3,28,19,21,20,2,30,9,32/E:(5,6)(7,8)(9,10)(11,12)/rA:39nCOCCCCCCOCCCCCCCCCCONCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;s17;s18;d19;s19;s21;s22;s23;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H35NO5 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6383 |
Area: | 865.958 |
Solvation: | -10.0107 |
Coulombic: | -52.5136 |
Bond Count [?]
All: | 42 |
Single: | 29 |
Double: | 13 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 525.635 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.82 |
LogP (Chemaxon): | 6.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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