Chemical ID: 7102267

CC(C)CNCc1ccc(cc1)OCC(=O)NC(C)(C)C
Chemical ID:
7102267
Name [?]:
2-[4-(isobutylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)CNCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C17H28N2O2/c1-13(2)10-18-11-14-6-8-15(9-7-14)21-12-16(20)19-17(3,4)5/h6-9,13,18H,10-12H2,1-5H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,21,8,12,9,11,4,6,14,2,7,10,15,18,5,17,16,13/E:(1,2)(3,4,5)(6,7)(8,9)/rA:21nCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;s2;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:9.67001
Area:544.69
Solvation:-3.94724
Coulombic:-38.1773
Bond Count [?]
All:21
Single:17
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:292.417
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.0
LogP (Chemaxon):2.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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