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Chemical ID: 4203938
Chemical ID:
4203938
Name [?]:
N,N-diisopropyl-4-tert-butyl-benzamide
SMILES [?]:
CC(C)N(C(C)C)C(=O)c1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C17H27NO/c1-12(2)18(13(3)4)16(19)14-8-10-15(11-9-14)17(5,6)7/h8-13H,1-7H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,17,18,19,11,15,12,14,2,5,10,13,8,16,4,9/E:(1,2,3,4)(5,6,7)(8,9)(10,11)(12,13)/rA:19nCCCNCCCCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s5;s4;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94733 |
Area: | 455.624 |
Solvation: | -1.44328 |
Coulombic: | -20.1009 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.15 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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