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Chemical ID: 6158414
Chemical ID:
6158414
Name [?]:
3-benzamido-N-benzyl-N-ethyl-benzamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)c2cccc(c2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O2/c1-2-25(17-18-10-5-3-6-11-18)23(27)20-14-9-15-21(16-20)24-22(26)19-12-7-4-8-13-19/h3-16H,2,17H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,8,25,7,9,24,26,15,6,10,23,27,14,16,18,4,5,22,13,17,20,11,19,3,21,12/E:(5,6)(7,8)(10,11)(12,13)/rA:27nCCNCCCCCCCCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.578 |
Area: | 586.788 |
Solvation: | -3.09173 |
Coulombic: | -42.2476 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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