Chemical ID: 7020129

CC(C)CCOc1ccc(cc1)C(NC(=O)C)NC(=O)C
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

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Descriptor Annotations

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