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Chemical ID: 4380589
Chemical ID:
4380589
Name [?]:
1-[(4-benzyloxyphenyl)methyl]-N-isobutyl-piperidine-4-carboxamide
SMILES [?]:
CC(C)CNC(=O)C1CCN(CC1)Cc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C24H32N2O2/c1-19(2)16-25-24(27)22-12-14-26(15-13-22)17-20-8-10-23(11-9-20)28-18-21-6-4-3-5-7-21/h3-11,19,22H,12-18H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,26,25,27,24,28,16,20,17,19,9,13,10,12,4,14,22,2,15,23,8,18,6,5,11,7,21/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28nCCCCNCOCCCNCCCCCCCCCOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2144 |
Area: | 654.85 |
Solvation: | -4.15683 |
Coulombic: | -35.7833 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.523 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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