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Chemical ID: 6385703
Chemical ID:
6385703
Name [?]:
2,2-dimethyl-N-(o-tolyl)propanamide
SMILES [?]:
Cc1ccccc1NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C12H17NO/c1-9-7-5-6-8-10(9)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,13,14,4,5,3,6,2,7,9,11,8,10/E:(2,3,4)/rA:14nCCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70941 |
Area: | 372.396 |
Solvation: | -1.60048 |
Coulombic: | -21.8852 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.25 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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