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Chemical ID: 4567381
Chemical ID:
4567381
Name [?]:
3-(4-isopropoxyphenyl)-N-phenethyl-3-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)C(CC(=O)NCCc2ccccc2)c3ccc(cc3)OC(C)C
InChi [?]:
InChI=1/C27H31NO2/c1-20(2)30-25-15-13-24(14-16-25)26(23-11-9-21(3)10-12-23)19-27(29)28-18-17-22-7-5-4-6-8-22/h4-16,20,26H,17-19H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:29,30,1,18,17,19,16,20,3,7,4,6,22,26,23,25,14,13,9,28,2,15,5,21,24,8,10,12,11,27/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30cCCCCCCCCCCONCCCCCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s8;s21;d22;s23;d24;d21s25;s24;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31NO2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0748 |
Area: | 679.912 |
Solvation: | -3.92303 |
Coulombic: | -31.6711 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 401.541 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.0 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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