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Chemical ID: 5440456
Chemical ID:
5440456
Name [?]:
4-ethyl-N-[1-(phenethylcarbamoyl)-2-phenyl-ethyl]-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)NC(Cc2ccccc2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C26H28N2O2/c1-2-20-13-15-23(16-14-20)25(29)28-24(19-22-11-7-4-8-12-22)26(30)27-18-17-21-9-5-3-6-10-21/h3-16,24H,2,17-19H2,1H3,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,28,17,27,29,16,18,26,30,15,19,4,8,5,7,24,23,13,3,25,14,6,12,9,20,22,11,10,21/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30cCCCCCCCCCONCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s12;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.4524 |
Area: | 662.712 |
Solvation: | -3.11541 |
Coulombic: | -47.7053 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 400.513 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.34 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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