ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6538432

Chemical ID:

6538432

Name [?]:

N,N-bis(2-methoxyethyl)benzamide

SMILES [?]:

COCCN(CCOC)C(=O)c1ccccc1

InChi [?]:

InChI=1/C13H19NO3/c1-16-10-8-14(9-11-17-2)13(15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,9,15,14,16,13,17,4,6,3,7,12,10,5,11,2,8/E:(1,2)(4,5)(6,7)(8,9)(10,11)(16,17)/rA:17nCOCCNCCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	5.05644
Area:	425.655
Solvation:	-5.58494
Coulombic:	-32.2756

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	237.295
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.19
LogP (Chemaxon):	0.86

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