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Chemical ID: 7092019
Chemical ID:
7092019
Name [?]:
N-(2-amino-4-methoxy-phenyl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(cc1N)OC
InChi [?]:
InChI=1/C11H16N2O2/c1-7(2)11(14)13-10-5-4-8(15-3)6-9(10)12/h4-7H,12H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,9,8,11,2,10,12,7,4,13,6,5,14/E:(1,2)/rA:15nCCCCONCCCCCCNOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s10;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.79532 |
Area: | 392.86 |
Solvation: | -3.02618 |
Coulombic: | -43.7772 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.257 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.92 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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