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Chemical ID: 4087626
Chemical ID:
4087626
Name [?]:
cyclohexyl 4-[2-(4-methylphenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3
InChi [?]:
InChI=1/C22H25NO4/c1-16-7-13-19(14-8-16)26-15-21(24)23-18-11-9-17(10-12-18)22(25)27-20-5-3-2-4-6-20/h7-14,20H,2-6,15H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,3,7,15,17,14,18,4,6,9,2,16,13,5,22,10,19,12,11,20,8,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCOCCONCCCCCCCOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7268 |
Area: | 615.576 |
Solvation: | -4.66255 |
Coulombic: | -49.4466 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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