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Chemical ID: 7488395

Chemical ID:

7488395

Name [?]:

ethyl 4-(2-hexoxybenzoyl)aminobenzoate

SMILES [?]:

CCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC

InChi [?]:

InChI=1/C22H27NO4/c1-3-5-6-9-16-27-20-11-8-7-10-19(20)21(24)23-18-14-12-17(13-15-18)22(25)26-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,27,2,26,3,4,11,10,5,12,9,19,21,18,22,6,20,17,13,8,14,23,16,15,24,25,7/E:(12,13)(14,15)/rA:27nCCCCCCOCCCCCCCONCCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇NO₄
All Atoms:	54
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7799
Area:	648.365
Solvation:	-4.42921
Coulombic:	-50.0005

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	369.454
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.75
LogP (Chemaxon):	4.74

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