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Chemical ID: 4182712
Chemical ID:
4182712
Name [?]:
N-(2,3-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2cccc(c2)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C20H24N2O2/c1-13-8-6-11-17(14(13)2)22-18(23)15-9-7-10-16(12-15)21-19(24)20(3,4)5/h6-12H,1-5H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,22,23,24,4,14,3,13,15,5,17,2,7,12,16,6,10,19,21,18,9,11,20/E:(3,4,5)/rA:24nCCCCCCCCNCOCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.665 |
Area: | 547.824 |
Solvation: | -3.03057 |
Coulombic: | -42.8863 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.66 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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