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Chemical ID: 7213771

Chemical ID:

7213771

Name [?]:

N-(3-methoxyphenyl)-3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propanamide

SMILES [?]:

COc1cccc(c1)NC(=O)CC[NH+]2CCCCC2

InChi [?]:

InChI=1/C15H22N2O2/c1-19-14-7-5-6-13(12-14)16-15(18)8-11-17-9-3-2-4-10-17/h5-7,12H,2-4,8-11H2,1H3,(H,16,18)/p+1

InChi Info:

AuxInfo=1/1/N:1,17,16,18,5,6,4,12,15,19,13,8,7,3,10,9,14,11,2/E:(3,4)(9,10)/rA:19nCOCCCCCCNCOCCN+CCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃N₂O₂₊
All Atoms:	42
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	-21.8722
Area:	471.989
Solvation:	-33.6719
Coulombic:	3.97119

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	263.355
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.74
LogP (Chemaxon):	1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value