Chemical ID: 7479970

CCCCCCOc1ccc(cc1)C(=O)NCc2ccco2
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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