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Chemical ID: 6388902
Chemical ID:
6388902
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-4-isopropyl-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)c2ccc(cc2)C(C)C)C
InChi [?]:
InChI=1/C19H23NO/c1-5-15-8-6-7-14(4)18(15)20-19(21)17-11-9-16(10-12-17)13(2)3/h6-13H,5H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,2,5,6,4,14,16,13,17,18,7,3,15,12,8,10,9,11/E:(2,3)(9,10)(11,12)/rA:21nCCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5861 |
Area: | 493.565 |
Solvation: | -1.75304 |
Coulombic: | -24.3583 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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