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Chemical ID: 4737054

Chemical ID:

4737054

Name [?]:

N-(2,6-dimethylphenyl)-2-pyrrolidin-1-yl-propanamide

SMILES [?]:

Cc1cccc(c1NC(=O)C(C)N2CCCC2)C

InChi [?]:

InChI=1/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13(3)17-9-4-5-10-17/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,18,12,15,16,4,3,5,14,17,2,6,11,7,9,8,13,10/E:(1,2)(4,5)(7,8)(9,10)(11,12)/rA:18cCCCCCCCNCOCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s13;s14;s15;s13s16;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₂N₂O
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	8.34083
Area:	431.838
Solvation:	-2.45511
Coulombic:	-26.0095

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	246.348
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.29
LogP (Chemaxon):	1.74

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