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Chemical ID: 6935918
Chemical ID:
6935918
Name [?]:
N-(2-methoxy-1-methyl-ethyl)benzamide
SMILES [?]:
CC(COC)NC(=O)c1ccccc1
InChi [?]:
InChI=1/C11H15NO2/c1-9(8-14-2)12-11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,12,11,13,10,14,3,2,9,7,6,8,4/E:(4,5)(6,7)/rA:14cCCCOCNCOCCCCCC/rB:s1;s2;s3;s4;s2;s6;d7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 29 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.90042 |
Area: | 385.854 |
Solvation: | -2.74594 |
Coulombic: | -31.2405 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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