ChemDB: Chemical Search
Download
Chemical ID: 5574732
Chemical ID:
5574732
Name [?]:
3-(4-benzyloxy-3-methoxy-phenyl)-N-[2-(4-benzyloxy-3-methoxy-phenyl)ethyl]prop-2-enamide
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)CCNC(=O)C=Cc3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
InChI=1/C33H33NO5/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/h3-18,21-22H,19-20,23-24H2,1-2H3,(H,34,35)
InChi Info:
AuxInfo=1/1/N:31,1,37,14,36,38,13,15,35,39,12,16,25,6,23,26,7,22,17,18,29,4,33,10,24,5,34,11,27,8,28,3,20,19,21,30,2,32,9/E:(5,6)(7,8)(9,10)(11,12)/rA:39nCOCCCCCCOCCCCCCCCCNCOCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;s17;s18;s19;d20;s20;w22;s23;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H33NO5 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0169 |
Area: | 841.201 |
Solvation: | -10.0132 |
Coulombic: | -53.6311 |
Bond Count [?]
All: | 42 |
Single: | 28 |
Double: | 14 |
Rotors: | 14 |
Chiral: | 1 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 523.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.11 |
LogP (Chemaxon): | 6.11 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|