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Chemical ID: 6148076
Chemical ID:
6148076
Name [?]:
propyl 4-[2-(2-allylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2CC=C
InChi [?]:
InChI=1/C21H23NO4/c1-3-7-16-8-5-6-9-19(16)26-15-20(23)22-18-12-10-17(11-13-18)21(24)25-14-4-2/h3,5-6,8-13H,1,4,7,14-15H2,2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:26,1,25,2,21,20,24,22,19,8,12,9,11,3,16,23,7,10,18,14,5,13,15,6,4,17/E:(10,11)(12,13)/rA:26nCCCOCOCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7566 |
Area: | 619.015 |
Solvation: | -4.7188 |
Coulombic: | -50.8422 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 353.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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