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Chemical ID: 4159955
Chemical ID:
4159955
Name [?]:
ethyl 2-[2-(3-ethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCc1cccc(c1)OCC(=O)Nc2ccccc2C(=O)OCC
InChi [?]:
InChI=1/C19H21NO4/c1-3-14-8-7-9-15(12-14)24-13-18(21)20-17-11-6-5-10-16(17)19(22)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,17,16,5,4,6,18,15,8,10,3,7,19,14,11,20,13,12,21,22,9/rA:24nCCCCCCCCOCCONCCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0723 |
Area: | 565.745 |
Solvation: | -4.07129 |
Coulombic: | -49.8864 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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