Chemical ID: 5521191

CCCCC(CC)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
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

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Descriptor Annotations

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