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Chemical ID: 6528452
Chemical ID:
6528452
Name [?]:
N-(3,5-dimethylphenyl)morpholine-4-carboxamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)N2CCOCC2)C
InChi [?]:
InChI=1/C13H18N2O2/c1-10-7-11(2)9-12(8-10)14-13(16)15-3-5-17-6-4-15/h7-9H,3-6H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,17,12,16,13,15,3,7,5,2,4,6,9,8,11,10,14/E:(1,2)(3,4)(5,6)(8,9)(10,11)/rA:17nCCCCCCCNCONCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.424 |
Area: | 420.223 |
Solvation: | -3.08158 |
Coulombic: | -38.074 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.53 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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