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Chemical ID: 7266661
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
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Experimental Annotations
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Descriptor Annotations
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