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Chemical ID: 7493017

Chemical ID:

7493017

Name [?]:

ethyl 4-(2-pentoxybenzoyl)aminobenzoate

SMILES [?]:

CCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC

InChi [?]:

InChI=1/C21H25NO4/c1-3-5-8-15-26-19-10-7-6-9-18(19)20(23)22-17-13-11-16(12-14-17)21(24)25-4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,26,2,25,3,10,9,4,11,8,18,20,17,21,5,19,16,12,7,13,22,15,14,23,24,6/E:(11,12)(13,14)/rA:26nCCCCCOCCCCCCCONCCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₄
All Atoms:	51
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0511
Area:	618.956
Solvation:	-4.42283
Coulombic:	-49.7001

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	355.428
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.19
LogP (Chemaxon):	4.34

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