Chemical ID: 7266661

c1ccc(cc1)OCC(=O)NCC(=O)NCCc2c[nH]c3c2cccc3
Chemical ID:
7266661
Name [?]:
N-[2-(1H-indol-3-yl)ethylcarbamoylmethyl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)NCC(=O)NCCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C20H21N3O3/c24-19(13-23-20(25)14-26-16-6-2-1-3-7-16)21-11-10-15-12-22-18-9-5-4-8-17(15)18/h1-9,12,22H,10-11,13-14H2,(H,21,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,25,3,5,23,26,17,16,19,12,8,18,4,22,21,13,9,15,20,11,14,10,7/E:(2,3)(6,7)/rA:26nCCCCCCOCCONCCONCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;s20;s18s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O3
All Atoms:47
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.94861
Area:609.6
Solvation:-5.29139
Coulombic:-61.2555
Bond Count [?]
All:28
Single:19
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:351.399
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.22
LogP (Chemaxon):2.07

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