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Chemical ID: 7479970
Chemical ID:
7479970
Name [?]:
N-(2-furylmethyl)-4-hexoxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)NCc2ccco2
InChi [?]:
InChI=1/C18H23NO3/c1-2-3-4-5-12-21-16-10-8-15(9-11-16)18(20)19-14-17-7-6-13-22-17/h6-11,13H,2-5,12,14H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,20,19,10,12,9,13,6,21,17,11,8,18,14,16,15,7,22/E:(8,9)(10,11)/rA:22nCCCCCCOCCCCCCCONCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO3 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2259 |
Area: | 565.274 |
Solvation: | -3.90596 |
Coulombic: | -37.663 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 301.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.24 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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