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Chemical ID: 5516224
Chemical ID:
5516224
Name [?]:
N-(2,6-diisopropylphenyl)-2-dimethylamino-acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)CN(C)C)C(C)C
InChi [?]:
InChI=1/C16H26N2O/c1-11(2)13-8-7-9-14(12(3)4)16(13)17-15(19)10-18(5)6/h7-9,11-12H,10H2,1-6H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,15,16,6,5,7,13,2,17,4,8,11,9,10,14,12/E:(1,2,3,4)(5,6)(8,9)(11,12)(13,14)/rA:19nCCCCCCCCCNCOCNCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s14;s8;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14093 |
Area: | 472.259 |
Solvation: | -2.66555 |
Coulombic: | -26.5874 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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