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Chemical ID: 7488395
Chemical ID:
7488395
Name [?]:
ethyl 4-(2-hexoxybenzoyl)aminobenzoate
SMILES [?]:
CCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC
InChi [?]:
InChI=1/C22H27NO4/c1-3-5-6-9-16-27-20-11-8-7-10-19(20)21(24)23-18-14-12-17(13-15-18)22(25)26-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,26,3,4,11,10,5,12,9,19,21,18,22,6,20,17,13,8,14,23,16,15,24,25,7/E:(12,13)(14,15)/rA:27nCCCCCCOCCCCCCCONCCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27NO4 |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7799 |
Area: | 648.365 |
Solvation: | -4.42921 |
Coulombic: | -50.0005 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 369.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.75 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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