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Chemical ID: 4148270

Chemical ID:

4148270

Name [?]:

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

SMILES [?]:

Cc1ccccc1OCC(=O)Nc2ccc(cc2)C(=O)OCC(C)C

InChi [?]:

InChI=1/C20H23NO4/c1-14(2)12-25-20(23)16-8-10-17(11-9-16)21-19(22)13-24-18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:24,25,1,4,5,3,6,15,17,14,18,22,9,23,2,16,13,7,10,19,12,11,20,8,21/E:(1,2)(8,9)(10,11)/rA:25nCCCCCCCOCCONCCCCCCCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.1267
Area:	592.226
Solvation:	-4.67895
Coulombic:	-49.3026

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	341.401
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.91
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