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Chemical ID: 3966642

Chemical ID:

3966642

Name [?]:

N-(1-phenethyl-4-piperidyl)-N-phenyl-propanamide

SMILES [?]:

CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3

InChi [?]:

InChI=1/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,23,9,22,24,8,10,21,25,7,11,19,13,17,18,14,16,20,6,12,3,15,5,4/E:(5,6)(7,8)(9,10)(11,12)(14,15)(17,18)/rA:25nCCCONCCCCCCCCCNCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s15;s12s16;s15;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6373
Area:	567.153
Solvation:	-2.54149
Coulombic:	-23.4043

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	336.471
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.93
LogP (Chemaxon):	3.77

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