Chemical ID: 4461950

c1ccc(cc1)C2(CCOCC2)C(=O)NCc3ccco3
Chemical ID:
4461950
Name [?]:
N-(2-furylmethyl)-4-phenyl-tetrahydropyran-4-carboxamide
SMILES [?]:
c1ccc(cc1)C2(CCOCC2)C(=O)NCc3ccco3
InChi [?]:
InChI=1/C17H19NO3/c19-16(18-13-15-7-4-10-21-15)17(8-11-20-12-9-17)14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,18,8,12,20,9,11,16,4,17,13,7,15,14,10,21/E:(2,3)(5,6)(8,9)(11,12)/rA:21nCCCCCCCCCOCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s7;d13;s13;s15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.83891
Area:477.955
Solvation:-4.10998
Coulombic:-37.1539
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.338
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.04
LogP (Chemaxon):2.05

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Descriptor Annotations

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