Chemical ID: 4149618

CCCCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2
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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