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Chemical ID: 7102370
Chemical ID:
7102370
Name [?]:
2-[4-(sec-butylaminomethyl)phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CCC(C)NCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C17H28N2O2/c1-6-13(2)18-11-14-7-9-15(10-8-14)21-12-16(20)19-17(3,4)5/h7-10,13,18H,6,11-12H2,1-5H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,19,20,21,2,8,12,9,11,6,14,3,7,10,15,18,5,17,16,13/E:(3,4,5)(7,8)(9,10)/rA:21cCCCCNCCCCCCCOCCONCCCC/rB:s1;s2;s3;s3;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: | 1 |
ZAP Information [?]
Total: | 9.58851 |
Area: | 541.624 |
Solvation: | -3.9521 |
Coulombic: | -37.9838 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 292.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.16 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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