Chemical ID: 5830053

c1ccc(cc1)COc2cccc(c2)CN3CCC(CC3)C(=O)NCc4ccco4
Chemical ID:
5830053
Name [?]:
1-[(3-benzyloxyphenyl)methyl]-N-(2-furylmethyl)piperidine-4-carboxamide
SMILES [?]:
c1ccc(cc1)COc2cccc(c2)CN3CCC(CC3)C(=O)NCc4ccco4
InChi [?]:
InChI=1/C25H28N2O3/c28-25(26-17-24-10-5-15-29-24)22-11-13-27(14-12-22)18-21-8-4-9-23(16-21)30-19-20-6-2-1-3-7-20/h1-10,15-16,22H,11-14,17-19H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,28,3,5,12,10,27,18,20,17,21,29,14,25,15,7,4,13,19,9,26,22,24,16,23,30,8/E:(2,3)(6,7)(11,12)(13,14)/rA:30nCCCCCCCOCCCCCCCNCCCCCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.3799
Area:672.344
Solvation:-5.42869
Coulombic:-41.5779
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:404.501
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.51
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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