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Chemical ID: 4837910

Chemical ID:

4837910

Name [?]:

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

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2OC

InChi [?]:

InChI=1/C18H19NO5/c1-3-23-18(21)13-8-10-14(11-9-13)19-17(20)12-24-16-7-5-4-6-15(16)22-2/h4-11H,3,12H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,24,2,20,19,21,18,7,11,8,10,15,6,9,22,17,13,4,12,14,5,23,3,16/E:(8,9)(10,11)/rA:24nCCOCOCCCCCCNCOCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.00187
Area:	563.271
Solvation:	-7.0799
Coulombic:	-54.5575

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	329.347
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.68
LogP (Chemaxon):	2.51

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