Chemical ID: 7282112

Cn1cccc1C(=O)Nc2ccccc2N3CCOCC3
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

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Descriptor Annotations

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