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Chemical ID: 7373475
Chemical ID:
7373475
Name [?]:
3-(4-methoxyphenyl)-N-(2-methoxy-5-tert-butyl-phenyl)-propanamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)NC(=O)CCc2ccc(cc2)OC)OC
InChi [?]:
InChI=1/C21H27NO3/c1-21(2,3)16-9-12-19(25-5)18(14-16)22-20(23)13-8-15-6-10-17(24-4)11-7-15/h6-7,9-12,14H,8,13H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,25,17,21,15,6,18,20,7,14,10,16,5,19,9,8,12,2,11,13,22,24/E:(1,2,3)(6,7)(10,11)/rA:25nCCCCCCCCCCNCOCCCCCCCCOCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s8;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO3 |
All Atoms: | 52 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0978 |
Area: | 581.133 |
Solvation: | -4.4305 |
Coulombic: | -36.743 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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