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Chemical ID: 6335102
Chemical ID:
6335102
Name [?]:
3-methyl-N-(1-naphthyl)butanamide
SMILES [?]:
CC(C)CC(=O)Nc1cccc2c1cccc2
InChi [?]:
InChI=1/C15H17NO/c1-11(2)10-15(17)16-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,10,17,11,14,9,4,2,12,13,8,5,7,6/E:(1,2)/rA:17nCCCCCONCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56203 |
Area: | 416.912 |
Solvation: | -1.86077 |
Coulombic: | -22.3788 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 227.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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