Chemical ID: 4158126

CCc1ccccc1OCC(=O)Nc2ccccc2C(=O)OCC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue