Chemical ID: 4380565

COc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3ccc(c(c3)OC)OCc4ccccc4
Chemical ID:
4380565
Name [?]:
1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
InChI=1/C29H34N2O4/c1-33-26-11-8-22(9-12-26)19-30-29(32)25-14-16-31(17-15-25)20-24-10-13-27(28(18-24)34-2)35-21-23-6-4-3-5-7-23/h3-13,18,25H,14-17,19-21H2,1-2H3,(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,27,33,32,34,31,35,5,7,21,4,8,22,14,18,15,17,25,9,19,29,6,30,20,13,3,23,24,11,10,16,12,2,26,28/E:(4,5)(6,7)(8,9)(11,12)(14,15)(16,17)/rA:35nCOCCCCCCCNCOCCCNCCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.2984
Area:769.589
Solvation:-7.94131
Coulombic:-49.2688
Bond Count [?]
All:38
Single:28
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:474.591
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.38
LogP (Chemaxon):4.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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