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Chemical ID: 6666964
Chemical ID:
6666964
Name [?]:
N-(3,5-dimethylphenyl)-2,6-dimethyl-morpholine-4-carboxamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)N2CC(OC(C2)C)C)C
InChi [?]:
InChI=1/C15H22N2O2/c1-10-5-11(2)7-14(6-10)16-15(18)17-8-12(3)19-13(4)9-17/h5-7,12-13H,8-9H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,17,18,3,7,5,16,12,2,4,15,13,6,9,8,11,10,14/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:19cCCCCCCCNCONCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.7942 |
Area: | 466.27 |
Solvation: | -2.86255 |
Coulombic: | -38.622 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.45 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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