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Chemical ID: 4567377
Chemical ID:
4567377
Name [?]:
3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)-N-phenethyl-propanamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CC(=O)NCCc2ccccc2)c3ccccc3OC
InChi [?]:
InChI=1/C27H31NO3/c1-20(2)31-23-15-13-22(14-16-23)25(24-11-7-8-12-26(24)30-3)19-27(29)28-18-17-21-9-5-4-6-10-21/h4-16,20,25H,17-19H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,3,31,21,20,22,26,27,19,23,25,28,7,9,6,10,17,16,12,2,18,8,5,24,11,29,13,15,14,30,4/E:(1,2)(5,6)(9,10)(13,14)(15,16)/rA:31cCCCOCCCCCCCCCONCCCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s11;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31NO3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8609 |
Area: | 687.841 |
Solvation: | -5.33513 |
Coulombic: | -38.0494 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 417.54 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.48 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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