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Chemical ID: 6321033
Chemical ID:
6321033
Name [?]:
3-(2,6-dimethylmorpholin-4-yl)-N-(3,5-dimethylphenyl)-propanamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CCN2CC(OC(C2)C)C)C
InChi [?]:
InChI=1/C17H26N2O2/c1-12-7-13(2)9-16(8-12)18-17(20)5-6-19-10-14(3)21-15(4)11-19/h7-9,14-15H,5-6,10-11H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,19,20,11,12,3,7,5,18,14,2,4,17,15,6,9,8,13,10,16/E:(1,2)(3,4)(8,9)(10,11)(12,13)(14,15)/rA:21cCCCCCCCNCOCCNCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.92668 |
Area: | 518.235 |
Solvation: | -4.0292 |
Coulombic: | -31.9317 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.35 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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