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Chemical ID: 5521191
Chemical ID:
5521191
Name [?]:
2-ethyl-N-[2-(tert-butylcarbamoyl)phenyl]-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C19H30N2O2/c1-6-8-11-14(7-2)17(22)20-16-13-10-9-12-15(16)18(23)21-19(3,4)5/h9-10,12-14H,6-8,11H2,1-5H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,7,21,22,23,2,6,3,14,13,4,15,12,5,16,11,8,17,20,10,19,9,18/E:(3,4,5)/rA:23cCCCCCCCCONCCCCCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9462 |
Area: | 561.075 |
Solvation: | -2.08065 |
Coulombic: | -44.5074 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 318.454 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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