Chemical ID: 7320065

CN(Cc1ccccc1)C(=O)COc2cccc(c2)C#N
Chemical ID:
7320065
Name [?]:
N-benzyl-2-(3-cyanophenoxy)-N-methyl-acetamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)COc2cccc(c2)C#N
InChi [?]:
InChI=1/C17H16N2O2/c1-19(12-14-6-3-2-4-7-14)17(20)13-21-16-9-5-8-15(10-16)11-18/h2-10H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,16,5,9,17,15,19,20,3,12,4,18,14,10,21,2,11,13/E:(3,4)(6,7)/rA:21nCNCCCCCCCCOCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.12259
Area:505.302
Solvation:-4.50997
Coulombic:-28.4822
Bond Count [?]
All:22
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.68
LogP (Chemaxon):2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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