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Chemical ID: 4737113

Chemical ID:

4737113

Name [?]:

N-(2,6-dimethylphenyl)-2-(1-piperidyl)propanamide

SMILES [?]:

Cc1cccc(c1NC(=O)C(C)N2CCCCC2)C

InChi [?]:

InChI=1/C16H24N2O/c1-12-8-7-9-13(2)15(12)17-16(19)14(3)18-10-5-4-6-11-18/h7-9,14H,4-6,10-11H2,1-3H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,19,12,16,15,17,4,3,5,14,18,2,6,11,7,9,8,13,10/E:(1,2)(5,6)(8,9)(10,11)(12,13)/rA:19cCCCCCCCNCOCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s13;s14;s15;s16;s13s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₄N₂O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	8.5331
Area:	448.214
Solvation:	-2.67225
Coulombic:	-26.0338

Bond Count [?]

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

Chemical Properties

Molecular Weight:	260.375
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.64
LogP (Chemaxon):	2.13

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