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Chemical ID: 7020129
Chemical ID:
7020129
Name [?]:
N-[acetamido-(4-isopentyloxyphenyl)-methyl]acetamide
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(NC(=O)C)NC(=O)C
InChi [?]:
InChI=1/C16H24N2O3/c1-11(2)9-10-21-15-7-5-14(6-8-15)16(17-12(3)19)18-13(4)20/h5-8,11,16H,9-10H2,1-4H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,17,21,9,11,8,12,4,5,2,15,19,10,7,13,14,18,16,20,6/E:(1,2)(3,4)(5,6)(7,8)(12,13)(17,18)(19,20)/gE:(1,2)/rA:21nCCCCCOCCCCCCCNCOCNCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s13;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O3 |
All Atoms: | 45 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46028 |
Area: | 531.913 |
Solvation: | -4.83755 |
Coulombic: | -47.1908 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 292.373 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.93 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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