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Chemical ID: 3885479
Chemical ID:
3885479
Name [?]:
N-(5-amino-2-methyl-phenyl)-2-morpholino-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CN2CCOCC2)N
InChi [?]:
InChI=1/C13H19N3O2/c1-10-2-3-11(14)8-12(10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9,14H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,17,14,16,6,11,2,5,7,9,18,8,12,10,15/E:(4,5)(6,7)/rA:18nCCCCCCCNCOCNCCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s5;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N3O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.82188 |
Area: | 437.485 |
Solvation: | -4.11525 |
Coulombic: | -48.8868 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 249.309 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -0.19 |
LogP (Chemaxon): | -0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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