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Chemical ID: 4152284
Chemical ID:
4152284
Name [?]:
butyl 4-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(c(c2)C)C(C)C
InChi [?]:
InChI=1/C23H29NO4/c1-5-6-13-27-23(26)18-7-9-19(10-8-18)24-22(25)15-28-20-11-12-21(16(2)3)17(4)14-20/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,28,25,2,3,9,13,10,12,20,21,4,24,17,26,23,8,11,19,22,15,6,14,16,7,5,18/E:(2,3)(7,8)(9,10)/rA:28nCCCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;s22;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9621 |
Area: | 666.06 |
Solvation: | -4.68943 |
Coulombic: | -49.6364 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 383.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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