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Chemical ID: 6335323
Chemical ID:
6335323
Name [?]:
2-cyclobutyl-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CC2CCC2
InChi [?]:
InChI=1/C13H17NO/c1-10-5-7-12(8-6-10)14-13(15)9-11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,7,4,6,11,2,12,5,9,8,10/E:(3,4)(5,6)(7,8)/rA:15nCCCCCCCNCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s12s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07869 |
Area: | 396.101 |
Solvation: | -1.82383 |
Coulombic: | -20.9651 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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