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Chemical ID: 5561075
Chemical ID:
5561075
Name [?]:
N-(4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-acetamide
SMILES [?]:
CC1CN(CC(O1)C)CC(=O)Nc2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H19N3O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-14-5-3-13(7-16)4-6-14/h3-6,11-12H,8-10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,15,17,14,18,19,3,5,9,2,6,16,13,10,20,12,4,11,7/E:(1,2)(3,4)(5,6)(8,9)(11,12)/rA:20cCCCNCCOCCCONCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.79761 |
Area: | 489.589 |
Solvation: | -4.44211 |
Coulombic: | -36.1683 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.33 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.04 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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