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Chemical ID: 6870110
Chemical ID:
6870110
Name [?]:
N-(4-ethylphenyl)-2-(m-tolylamino)acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CNc2cccc(c2)C
InChi [?]:
InChI=1/C17H20N2O/c1-3-14-7-9-15(10-8-14)19-17(20)12-18-16-6-4-5-13(2)11-16/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,16,17,15,4,8,5,7,19,12,18,3,6,14,10,13,9,11/E:(7,8)(9,10)/rA:20nCCCCCCCCNCOCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92487 |
Area: | 497.772 |
Solvation: | -2.51944 |
Coulombic: | -34.0015 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.74 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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