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Chemical ID: 7282112
Chemical ID:
7282112
Name [?]:
1-methyl-N-(2-morpholinophenyl)-pyrrole-2-carboxamide
SMILES [?]:
Cn1cccc1C(=O)Nc2ccccc2N3CCOCC3
InChi [?]:
InChI=1/C16H19N3O2/c1-18-8-4-7-15(18)16(20)17-13-5-2-3-6-14(13)19-9-11-21-12-10-19/h2-8H,9-12H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,12,13,4,11,14,5,3,17,21,18,20,10,15,6,7,9,2,16,8,19/E:(9,10)(11,12)/rA:21nCNCCCCCONCCCCCCNCCOCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O2 |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32445 |
Area: | 474.795 |
Solvation: | -3.54542 |
Coulombic: | -43.3417 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.92 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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