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Chemical ID: 4496656
Chemical ID:
4496656
Name [?]:
2-[2-(isopropylaminomethyl)phenoxy]acetamide
SMILES [?]:
CC(C)NCc1ccccc1OCC(=O)N
InChi [?]:
InChI=1/C12H18N2O2/c1-9(2)14-7-10-5-3-4-6-11(10)16-8-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,7,10,5,13,2,6,11,14,16,4,15,12/E:(1,2)/rA:16nCCCNCCCCCCCOCCON/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.19175 |
Area: | 426.44 |
Solvation: | -4.46924 |
Coulombic: | -41.1053 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 222.284 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.99 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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