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Chemical ID: 4152292
Chemical ID:
4152292
Name [?]:
isobutyl 4-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccc(cc2)C(=O)OCC(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-15(2)13-28-23(26)18-6-8-19(9-7-18)24-22(25)14-27-20-10-11-21(16(3)4)17(5)12-20/h6-12,15-16H,13-14H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:27,28,9,10,1,18,20,17,21,5,6,3,25,12,26,8,2,19,16,4,7,13,22,15,14,23,11,24/E:(1,2)(3,4)(6,7)(8,9)/rA:28nCCCCCCCCCCOCCONCCCCCCCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8263 |
Area: | 660.299 |
Solvation: | -4.68119 |
Coulombic: | -49.6322 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 383.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.53 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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