Chemical ID: 5534929

Cc1ccc(cc1NC(=O)COc2ccccc2)C(=O)OC
Chemical ID:
5534929
Name [?]:
methyl 4-methyl-3-(2-phenoxyacetyl)amino-benzoate
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2ccccc2)C(=O)OC
InChi [?]:
InChI=1/C17H17NO4/c1-12-8-9-13(17(20)21-2)10-15(12)18-16(19)11-22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,16,15,17,14,18,3,4,6,11,2,5,13,7,9,19,8,10,20,21,12/E:(4,5)(6,7)/rA:22nCCCCCCCNCOCOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s5;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.95812
Area:518.109
Solvation:-4.99462
Coulombic:-48.0336
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):2.24

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