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Chemical ID: 5830066
Chemical ID:
5830066
Name [?]:
N-benzyl-N-butyl-1-[(3-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
CCCCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3cccc(c3)O
InChi [?]:
InChI=1/C24H32N2O2/c1-2-3-14-26(19-20-8-5-4-6-9-20)24(28)22-12-15-25(16-13-22)18-21-10-7-11-23(27)17-21/h4-11,17,22,27H,2-3,12-16,18-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,9,11,24,8,12,23,25,16,20,4,17,19,27,21,6,7,22,15,26,13,18,5,28,14/E:(5,6)(8,9)(12,13)(15,16)/rA:28nCCCCNCCCCCCCCOCCCNCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2046 |
Area: | 636.693 |
Solvation: | -3.71273 |
Coulombic: | -39.8486 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.523 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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