Chemical ID: 5830066

CCCCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3cccc(c3)O
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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