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Chemical ID: 5623334
Chemical ID:
5623334
Name [?]:
butyl 4-[2-(4-methylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C
InChi [?]:
InChI=1/C20H23NO4/c1-3-4-13-24-20(23)16-7-9-17(10-8-16)21-19(22)14-25-18-11-5-15(2)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,21,23,9,13,10,12,20,24,4,17,22,8,11,19,15,6,14,16,7,5,18/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCOCOCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4241 |
Area: | 605.46 |
Solvation: | -4.71238 |
Coulombic: | -49.1751 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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