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Chemical ID: 4160489

Chemical ID:

4160489

Name [?]:

ethyl 2-[2-(4-ethoxyphenoxy)acetyl]aminobenzoate

SMILES [?]:

CCOc1ccc(cc1)OCC(=O)Nc2ccccc2C(=O)OCC

InChi [?]:

InChI=1/C19H21NO5/c1-3-23-14-9-11-15(12-10-14)25-13-18(21)20-17-8-6-5-7-16(17)19(22)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,25,2,24,18,17,19,16,5,9,6,8,11,4,7,20,15,12,21,14,13,22,3,23,10/E:(9,10)(11,12)/rA:25nCCOCCCCCCOCCONCCCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₅
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.27262
Area:	582.153
Solvation:	-5.28121
Coulombic:	-56.0067

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	343.374
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.8
LogP (Chemaxon):	3.51

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