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Chemical ID: 7480029
Chemical ID:
7480029
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-4-hexoxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Nc2c(cccc2CC)C
InChi [?]:
InChI=1/C22H29NO2/c1-4-6-7-8-16-25-20-14-12-19(13-15-20)22(24)23-21-17(3)10-9-11-18(21)5-2/h9-15H,4-8,16H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,23,3,4,5,20,19,21,10,12,9,13,6,18,22,11,8,17,14,16,15,7/E:(12,13)(14,15)/rA:25nCCCCCCOCCCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO2 |
All Atoms: | 54 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1464 |
Area: | 604.781 |
Solvation: | -2.97314 |
Coulombic: | -31.6575 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.471 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.31 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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