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Chemical ID: 4202068
Chemical ID:
4202068
Name [?]:
N-(2-furylmethyl)-4-(morpholinomethyl)benzamide
SMILES [?]:
c1cc(oc1)CNC(=O)c2ccc(cc2)CN3CCOCC3
InChi [?]:
InChI=1/C17H20N2O3/c20-17(18-12-16-2-1-9-22-16)15-5-3-14(4-6-15)13-19-7-10-21-11-8-19/h1-6,9H,7-8,10-13H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,12,14,11,15,18,22,5,19,21,6,16,13,10,3,8,7,17,9,20,4/E:(3,4)(5,6)(7,8)(10,11)/rA:22nCCCOCCNCOCCCCCCCNCCOCC/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32745 |
Area: | 518.631 |
Solvation: | -4.63833 |
Coulombic: | -42.1342 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.19 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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