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Chemical ID: 4149618
Chemical ID:
4149618
Name [?]:
hexyl 4-(2-phenoxyacetyl)aminobenzoate
SMILES [?]:
CCCCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2
InChi [?]:
InChI=1/C21H25NO4/c1-2-3-4-8-15-25-21(24)17-11-13-18(14-12-17)22-20(23)16-26-19-9-6-5-7-10-19/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,24,23,25,5,22,26,11,15,12,14,6,19,10,13,21,17,8,16,18,9,7,20/E:(6,7)(9,10)(11,12)(13,14)/rA:26nCCCCCCOCOCCCCCCNCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.179 |
Area: | 635.399 |
Solvation: | -4.70596 |
Coulombic: | -50.0206 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 355.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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