Chemical ID: 4380337

CCOC(=O)c1ccc(cc1)NC(=O)CCOc2cccc(c2)C
Chemical ID:
4380337
Name [?]:
ethyl 4-[3-(3-methylphenoxy)propanoylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CCOc2cccc(c2)C
InChi [?]:
InChI=1/C19H21NO4/c1-3-23-19(22)15-7-9-16(10-8-15)20-18(21)11-12-24-17-6-4-5-14(2)13-17/h4-10,13H,3,11-12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,21,19,7,11,8,10,15,16,23,22,6,9,18,13,4,12,14,5,3,17/E:(7,8)(9,10)/rA:24nCCOCOCCCCCCNCOCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8083
Area:574.466
Solvation:-3.55331
Coulombic:-48.5104
Bond Count [?]
All:25
Single:17
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.374
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.63
LogP (Chemaxon):3.41

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