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Chemical ID: 5170077

Chemical ID:

5170077

Name [?]:

N-butyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidine-4-carboxamide

SMILES [?]:

CCCCNC(=O)C1CCN(CC1)Cc2ccc(c(c2)OCC)O

InChi [?]:

InChI=1/C19H30N2O3/c1-3-5-10-20-19(23)16-8-11-21(12-9-16)14-15-6-7-17(22)18(13-15)24-4-2/h6-7,13,16,22H,3-5,8-12,14H2,1-2H3,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,23,2,22,3,16,17,9,13,4,10,12,20,14,15,8,18,19,6,5,11,24,7,21/E:(8,9)(11,12)/rA:24nCCCCNCOCCCNCCCCCCCCCOCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₀N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.80239
Area:	588.625
Solvation:	-4.91323
Coulombic:	-49.4858

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	334.453
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.76
LogP (Chemaxon):	2.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value