Chemical ID: 7106536

CC(C)(C)NC(=O)COc1ccc(cc1)CNCCOC
Chemical ID:
7106536
Name [?]:
2-[4-(2-methoxyethylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)COc1ccc(cc1)CNCCOC
InChi [?]:
InChI=1/C16H26N2O3/c1-16(2,3)18-15(19)12-21-14-7-5-13(6-8-14)11-17-9-10-20-4/h5-8,17H,9-12H2,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,12,14,11,15,18,19,16,8,13,10,6,2,17,5,7,20,9/E:(1,2,3)(5,6)(7,8)/rA:21nCCCCNCOCOCCCCCCCNCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N2O3
All Atoms:47
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.31066
Area:542.972
Solvation:-6.26364
Coulombic:-43.9817
Bond Count [?]
All:21
Single:17
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:294.389
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.73
LogP (Chemaxon):0.91

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Descriptor Annotations

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