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Chemical ID: 4691586
Chemical ID:
4691586
Name [?]:
2,2-dimethyl-N-(2-morpholinophenyl)-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccccc1N2CCOCC2
InChi [?]:
InChI=1/C15H22N2O2/c1-15(2,3)14(18)16-12-6-4-5-7-13(12)17-8-10-19-11-9-17/h4-7H,8-11H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,9,12,15,19,16,18,8,13,5,2,7,14,6,17/E:(1,2,3)(8,9)(10,11)/rA:19nCCCCCONCCCCCCNCCOCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12883 |
Area: | 453.201 |
Solvation: | -3.2012 |
Coulombic: | -36.2907 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.83 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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