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Chemical ID: 4198349

Chemical ID:

4198349

Name [?]:

N-(3,4-dimethoxyphenyl)pentanamide

SMILES [?]:

CCCCC(=O)Nc1ccc(c(c1)OC)OC

InChi [?]:

InChI=1/C13H19NO3/c1-4-5-6-13(15)14-10-7-8-11(16-2)12(9-10)17-3/h7-9H,4-6H2,1-3H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,17,15,2,3,4,9,10,13,8,11,12,5,7,6,16,14/rA:17nCCCCCONCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₉NO₃
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	6.00461
Area:	444.764
Solvation:	-5.11448
Coulombic:	-33.7251

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	237.295
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.23
LogP (Chemaxon):	2.29

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