Chemical ID: 7100662

CCCCNCc1ccc(cc1)OCC(=O)NC(C)(C)C
Chemical ID:
7100662
Name [?]:
2-[4-(butylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CCCCNCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C17H28N2O2/c1-5-6-11-18-12-14-7-9-15(10-8-14)21-13-16(20)19-17(2,3)4/h7-10,18H,5-6,11-13H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,2,3,8,12,9,11,4,6,14,7,10,15,18,5,17,16,13/E:(2,3,4)(7,8)(9,10)/rA:21nCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O2
All Atoms:49
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.82533
Area:552.24
Solvation:-3.98066
Coulombic:-38.2072
Bond Count [?]
All:21
Single:17
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:292.417
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.27
LogP (Chemaxon):2.28

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