Chemical ID: 4484258

CCC(C)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)OCC
Chemical ID:
4484258
Name [?]:
ethyl 4-[2-(4-sec-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)OCC
InChi [?]:
InChI=1/C21H25NO4/c1-4-15(3)16-8-12-19(13-9-16)26-14-20(23)22-18-10-6-17(7-11-18)21(24)25-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,4,2,25,18,20,6,10,17,21,7,9,12,3,5,19,16,8,13,22,15,14,23,24,11/E:(6,7)(8,9)(10,11)(12,13)/rA:26cCCCCCCCCCCOCCONCCCCCCCOOCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7128
Area:619.795
Solvation:-4.78211
Coulombic:-49.3156
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:355.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.01
LogP (Chemaxon):4.36

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Descriptor Annotations

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