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Chemical ID: 6565366

Chemical ID:

6565366

Name [?]:

(4-ethoxyphenyl)carbamoylmethyl 4-ethoxybenzoate

SMILES [?]:

CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)OCC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,25,2,24,6,8,18,22,5,9,19,21,13,7,17,4,20,14,10,16,15,11,3,23,12/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCOCCCCCCCOOCCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.19652
Area:	592.885
Solvation:	-5.62562
Coulombic:	-55.0796

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:	3.37
LogP (Chemaxon):	2.86

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