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Chemical ID: 4358701

Chemical ID:

4358701

Name [?]:

propyl 4-[2-(4-ethylphenoxy)acetyl]aminobenzoate

SMILES [?]:

CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)CC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,25,2,24,20,22,8,12,9,11,19,23,3,16,21,7,10,18,14,5,13,15,6,4,17/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCOCOCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.3617
Area:	602.621
Solvation:	-4.70382
Coulombic:	-49.2087

Bond Count [?]

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

Chemical Properties

Molecular Weight:	341.401
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.29
LogP (Chemaxon):	4.1

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