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Chemical ID: 6850582
Chemical ID:
6850582
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-2-(4-phenylphenoxy)-propanamide
SMILES [?]:
CCc1cccc(c1NC(=O)C(C)Oc2ccc(cc2)c3ccccc3)C
InChi [?]:
InChI=1/C24H25NO2/c1-4-19-12-8-9-17(2)23(19)25-24(26)18(3)27-22-15-13-21(14-16-22)20-10-6-5-7-11-20/h5-16,18H,4H2,1-3H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,13,2,24,23,25,5,6,22,26,4,17,19,16,20,7,12,3,21,18,15,8,10,9,11,14/E:(6,7)(10,11)(13,14)(15,16)/rA:27cCCCCCCCCNCOCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s23;d24;d21s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO2 |
All Atoms: | 52 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7511 |
Area: | 588.551 |
Solvation: | -3.96264 |
Coulombic: | -31.9042 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.06 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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