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Chemical ID: 6990162
Chemical ID:
6990162
Name [?]:
ethyl 4-[2-(4-phenylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C23H21NO4/c1-2-27-23(26)19-8-12-20(13-9-19)24-22(25)16-28-21-14-10-18(11-15-21)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,28,7,11,19,21,8,10,18,22,15,23,20,6,9,17,13,4,12,14,5,3,16/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28nCCOCOCCCCCCNCOCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO4 |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.705 |
Area: | 634.107 |
Solvation: | -5.14771 |
Coulombic: | -49.9716 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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