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Chemical ID: 6368313
Chemical ID:
6368313
Name [?]:
N-(2-isopropyl-6-methyl-phenyl)-3-methoxy-benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2cccc(c2)OC)C(C)C
InChi [?]:
InChI=1/C18H21NO2/c1-12(2)16-10-5-7-13(3)17(16)19-18(20)14-8-6-9-15(11-14)21-4/h5-12H,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,21,1,18,4,13,3,12,14,5,16,19,2,11,15,6,7,9,8,10,17/E:(1,2)/rA:21nCCCCCCCNCOCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;s6;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96031 |
Area: | 489.932 |
Solvation: | -3.28798 |
Coulombic: | -30.1225 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.33 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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