Chemical ID: 5830263

CN(C)CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccccc3O
Chemical ID:
5830263
Name [?]:
N-benzyl-N-(2-dimethylaminoethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
CN(C)CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccccc3O
InChi [?]:
InChI=1/C24H33N3O2/c1-25(2)16-17-27(18-20-8-4-3-5-9-20)24(29)21-12-14-26(15-13-21)19-22-10-6-7-11-23(22)28/h3-11,21,28H,12-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,12,25,26,9,13,24,27,17,21,18,20,4,5,7,22,8,16,23,28,14,2,19,6,29,15/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:29nCNCCCNCCCCCCCCOCCCNCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2081
Area:645.225
Solvation:-3.92257
Coulombic:-44.4166
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.538
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.78
LogP (Chemaxon):2.67

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Descriptor Annotations

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