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Chemical ID: 7041295

Chemical ID:

7041295

Name [?]:

N-(4-ethoxyphenyl)-3,5-dimethyl-benzofuran-2-carboxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)c2c(c3cc(ccc3o2)C)C

InChi [?]:

InChI=1/C19H19NO3/c1-4-22-15-8-6-14(7-9-15)20-19(21)18-13(3)16-11-12(2)5-10-17(16)23-18/h5-11H,4H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,23,2,18,6,8,5,9,19,16,17,14,7,4,15,20,13,11,10,12,3,21/E:(6,7)(8,9)/rA:23nCCOCCCCCCNCOCCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉NO₃
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.096
Area:	525.436
Solvation:	-3.03994
Coulombic:	-39.0924

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	309.359
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.97
LogP (Chemaxon):	4.47

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