Chemical ID: 7109653

Cc1ccc(cc1)CNCc2ccc(cc2)OCC(=O)NC(C)(C)C
Chemical ID:
7109653
Name [?]:
2-[4-(p-tolylmethylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
Cc1ccc(cc1)CNCc2ccc(cc2)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C21H28N2O2/c1-16-5-7-17(8-6-16)13-22-14-18-9-11-19(12-10-18)25-15-20(24)23-21(2,3)4/h5-12,22H,13-15H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,3,7,4,6,12,16,13,15,8,10,18,2,5,11,14,19,22,9,21,20,17/E:(2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O2
All Atoms:53
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6807
Area:606.063
Solvation:-4.47087
Coulombic:-38.7821
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.459
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):3.32

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue