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Chemical ID: 5756454
Chemical ID:
5756454
Name [?]:
2-benzylamino-N-(4-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CNCc2ccccc2
InChi [?]:
InChI=1/C17H20N2O2/c1-2-21-16-10-8-15(9-11-16)19-17(20)13-18-12-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,6,8,5,9,15,13,16,7,4,11,14,10,12,3/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCOCCCCCCNCOCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76325 |
Area: | 519.899 |
Solvation: | -4.23423 |
Coulombic: | -37.3493 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 284.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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