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Chemical ID: 7257011
Chemical ID:
7257011
Name [?]:
2-benzylamino-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CNCc2ccccc2
InChi [?]:
InChI=1/C17H20N2O/c1-2-14-8-10-16(11-9-14)19-17(20)13-18-12-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,16,20,4,8,5,7,14,12,3,15,6,10,13,9,11/E:(4,5)(6,7)(8,9)(10,11)/rA:20nCCCCCCCCNCOCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47726 |
Area: | 502.866 |
Solvation: | -3.09439 |
Coulombic: | -30.9708 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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