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Chemical ID: 4169432
Chemical ID:
4169432
Name [?]:
N-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)amino-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CNc2cc(cc(c2)C)C)C
InChi [?]:
InChI=1/C18H22N2O/c1-12-8-13(2)10-16(9-12)19-11-17(21)20-18-14(3)6-5-7-15(18)4/h5-10,19H,11H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:19,20,1,21,4,3,5,16,18,14,11,17,15,2,6,13,9,7,12,8,10/E:(1,2)(3,4)(6,7)(9,10)(12,13)(14,15)/rA:21nCCCCCCCNCOCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s15;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0134 |
Area: | 506.296 |
Solvation: | -2.64403 |
Coulombic: | -33.1984 |
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: | 3.73 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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