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Chemical ID: 6158440
Chemical ID:
6158440
Name [?]:
3-benzamido-N-isobutyl-benzamide
SMILES [?]:
CC(C)CNC(=O)c1cccc(c1)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C18H20N2O2/c1-13(2)12-19-17(21)15-9-6-10-16(11-15)20-18(22)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,10,18,22,9,11,13,4,2,17,8,12,6,15,5,14,7,16/E:(1,2)(4,5)(7,8)/rA:22nCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3873 |
Area: | 527.56 |
Solvation: | -2.80165 |
Coulombic: | -45.404 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 296.364 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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