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Chemical ID: 6392865

Chemical ID:

6392865

Name [?]:

butyl 4-(3-methoxybenzoyl)aminobenzoate

SMILES [?]:

CCCCOC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)OC

InChi [?]:

InChI=1/C19H21NO4/c1-3-4-12-24-19(22)14-8-10-16(11-9-14)20-18(21)15-6-5-7-17(13-15)23-2/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,24,2,3,19,18,20,9,13,10,12,4,22,8,17,11,21,15,6,14,16,7,23,5/E:(8,9)(10,11)/rA:24nCCCCOCOCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4709
Area:	575.437
Solvation:	-3.91498
Coulombic:	-49.8082

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	327.374
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.19
LogP (Chemaxon):	3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value