Chemical ID: 7108561

CC(C)(C)CC(C)(C)NCc1ccc(cc1)OCC(=O)NC(C)(C)C
Chemical ID:
7108561
Name [?]:
N-tert-butyl-2-[4-(1,1,3,3-tetramethylbutylaminomethyl)phenoxy]-acetamide
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C21H36N2O2/c1-19(2,3)15-21(7,8)22-13-16-9-11-17(12-10-16)25-14-18(24)23-20(4,5)6/h9-12,22H,13-15H2,1-8H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,24,25,7,8,12,16,13,15,10,18,5,11,14,19,2,22,6,9,21,20,17/E:(1,2,3)(4,5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H36N2O2
All Atoms:61
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1655
Area:595.998
Solvation:-3.73443
Coulombic:-38.682
Bond Count [?]
All:25
Single:21
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:348.523
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.26
LogP (Chemaxon):3.54

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Descriptor Annotations

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