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Chemical ID: 4386487
Chemical ID:
4386487
Name [?]:
N-(2-isopropylphenyl)-2-methoxy-acetamide
SMILES [?]:
CC(C)c1ccccc1NC(=O)COC
InChi [?]:
InChI=1/C12H17NO2/c1-9(2)10-6-4-5-7-11(10)13-12(14)8-15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,6,7,5,8,13,2,4,9,11,10,12,14/E:(1,2)/rA:15nCCCCCCCCCNCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.97494 |
Area: | 402.633 |
Solvation: | -4.09088 |
Coulombic: | -28.8908 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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