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Chemical ID: 7505858
Chemical ID:
7505858
Name [?]:
propyl 4-[2-(4-sec-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C(C)CC
InChi [?]:
InChI=1/C22H27NO4/c1-4-14-26-22(25)18-6-10-19(11-7-18)23-21(24)15-27-20-12-8-17(9-13-20)16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,26,8,12,20,22,9,11,19,23,3,16,24,21,7,10,18,14,5,13,15,6,4,17/E:(6,7)(8,9)(10,11)(12,13)/rA:27cCCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27NO4 |
All Atoms: | 54 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4414 |
Area: | 646.071 |
Solvation: | -4.71042 |
Coulombic: | -49.8447 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 369.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.37 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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