Chemical ID: 5562167

CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)OCc4ccccc4
Chemical ID:
5562167
Name [?]:
N-benzyl-1-[(4-benzyloxyphenyl)methyl]-N-ethyl-piperidine-4-carboxamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)OCc4ccccc4
InChi [?]:
InChI=1/C29H34N2O2/c1-2-31(22-24-9-5-3-6-10-24)29(32)27-17-19-30(20-18-27)21-25-13-15-28(16-14-25)33-23-26-11-7-4-8-12-26/h3-16,27H,2,17-23H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,31,7,9,30,32,6,10,29,33,21,25,22,24,14,18,15,17,19,4,27,5,20,28,13,23,11,16,3,12,26/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:33nCCNCCCCCCCCOCCCNCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N2O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.4116
Area:718.092
Solvation:-4.54075
Coulombic:-32.3593
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:442.593
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.38
LogP (Chemaxon):5.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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