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Chemical ID: 5623334

Chemical ID:

5623334

Name [?]:

butyl 4-[2-(4-methylphenoxy)acetyl]aminobenzoate

SMILES [?]:

CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C

InChi [?]:

InChI=1/C20H23NO4/c1-3-4-13-24-20(23)16-7-9-17(10-8-16)21-19(22)14-25-18-11-5-15(2)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,2,3,21,23,9,13,10,12,20,24,4,17,22,8,11,19,15,6,14,16,7,5,18/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCOCOCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃NO₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4241
Area:	605.46
Solvation:	-4.71238
Coulombic:	-49.1751

Bond Count [?]

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

Chemical Properties

Molecular Weight:	341.401
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.4
LogP (Chemaxon):	4.1

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value