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Chemical ID: 7358023
Chemical ID:
7358023
Name [?]:
N-[1-[1-(4-isobutylphenyl)ethylcarbamoyl]-2-phenyl-ethyl]benzamide
SMILES [?]:
CC(C)Cc1ccc(cc1)C(C)NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C28H32N2O2/c1-20(2)18-23-14-16-24(17-15-23)21(3)29-28(32)26(19-22-10-6-4-7-11-22)30-27(31)25-12-8-5-9-13-25/h4-17,20-21,26H,18-19H2,1-3H3,(H,29,32)(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,3,12,21,30,20,22,29,31,19,23,28,32,6,10,7,9,4,17,2,11,18,5,8,27,16,25,14,13,24,26,15/E:(1,2)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:32cCCCCCCCCCCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32N2O2 |
All Atoms: | 64 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 14.3102 |
Area: | 691.263 |
Solvation: | -2.9714 |
Coulombic: | -48.4782 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 428.566 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.78 |
LogP (Chemaxon): | 5.87 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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