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Chemical ID: 4682251
Chemical ID:
4682251
Name [?]:
2,2-dimethyl-N-phenethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NCCc1ccccc1
InChi [?]:
InChI=1/C13H19NO/c1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,14,11,15,9,8,10,5,2,7,6/E:(1,2,3)(5,6)(7,8)/rA:15nCCCCCONCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62109 |
Area: | 414.434 |
Solvation: | -1.73977 |
Coulombic: | -23.1789 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.33 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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