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Chemical ID: 7257329
Chemical ID:
7257329
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-2-(o-tolylamino)acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)CNc2ccccc2C)C
InChi [?]:
InChI=1/C18H22N2O/c1-4-15-10-7-9-14(3)18(15)20-17(21)12-19-16-11-6-5-8-13(16)2/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,2,17,16,5,18,6,4,15,12,19,7,3,14,10,8,13,9,11/rA:21nCCCCCCCCNCOCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85065 |
Area: | 496.27 |
Solvation: | -2.55609 |
Coulombic: | -33.8803 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 282.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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