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Chemical ID: 4148269
Chemical ID:
4148269
Name [?]:
isobutyl 4-[2-(2-tert-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CC(C)COC(=O)c1ccc(cc1)NC(=O)COc2ccccc2C(C)(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-16(2)14-28-22(26)17-10-12-18(13-11-17)24-21(25)15-27-20-9-7-6-8-19(20)23(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,26,27,28,22,21,23,20,9,13,10,12,4,17,2,8,11,24,19,15,6,25,14,16,7,18,5/E:(1,2)(3,4,5)(10,11)(12,13)/rA:28nCCCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.595 |
Area: | 638.597 |
Solvation: | -4.36995 |
Coulombic: | -50.2956 |
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: | 5.29 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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