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Chemical ID: 4158126
Chemical ID:
4158126
Name [?]:
ethyl 2-[2-(2-ethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2ccccc2C(=O)OCC
InChi [?]:
InChI=1/C19H21NO4/c1-3-14-9-5-8-12-17(14)24-13-18(21)20-16-11-7-6-10-15(16)19(22)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,5,17,16,6,4,18,15,7,10,3,19,14,8,11,20,13,12,21,22,9/rA:24nCCCCCCCCOCCONCCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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: | 9.93838 |
Area: | 557.056 |
Solvation: | -3.98803 |
Coulombic: | -50.0137 |
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: | 4.15 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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