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Chemical ID: 4512005
Chemical ID:
4512005
Name [?]:
2-methoxy-N-(2-morpholinophenyl)-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2ccccc2N3CCOCC3
InChi [?]:
InChI=1/C18H20N2O3/c1-22-17-9-5-2-6-14(17)18(21)19-15-7-3-4-8-16(15)20-10-12-23-13-11-20/h2-9H,10-13H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,14,15,5,7,13,16,4,19,23,20,22,8,12,17,3,9,11,18,10,2,21/E:(10,11)(12,13)/rA:23nCOCCCCCCCONCCCCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.401 |
Area: | 505.794 |
Solvation: | -5.24384 |
Coulombic: | -43.6163 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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