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Chemical ID: 7100662
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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