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Chemical ID: 5608394
Chemical ID:
5608394
Name [?]:
N-(2,6-dimethylphenyl)-2-(2,3-dimethylphenyl)amino-acetamide
SMILES [?]:
Cc1cccc(c1C)NCC(=O)Nc2c(cccc2C)C
InChi [?]:
InChI=1/C18H22N2O/c1-12-7-6-10-16(15(12)4)19-11-17(21)20-18-13(2)8-5-9-14(18)3/h5-10,19H,11H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,8,17,4,3,18,16,5,10,2,19,15,7,6,11,14,9,13,12/E:(2,3)(8,9)(13,14)/rA:21nCCCCCCCCNCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82571 |
Area: | 496.35 |
Solvation: | -2.58303 |
Coulombic: | -33.3031 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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