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Chemical ID: 6157208
Chemical ID:
6157208
Name [?]:
N-benzyl-3-cyclohexyl-N-isopropyl-propanamide
SMILES [?]:
CC(C)N(Cc1ccccc1)C(=O)CCC2CCCCC2
InChi [?]:
InChI=1/C19H29NO/c1-16(2)20(15-18-11-7-4-8-12-18)19(21)14-13-17-9-5-3-6-10-17/h4,7-8,11-12,16-17H,3,5-6,9-10,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,19,9,18,20,8,10,17,21,7,11,15,14,5,2,16,6,12,4,13/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:21nCCCNCCCCCCCCOCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H29NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9691 |
Area: | 507.745 |
Solvation: | -1.7245 |
Coulombic: | -19.0433 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.71 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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