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Chemical ID: 5911192

Chemical ID:

5911192

Name [?]:

N-benzyl-N-(2-furylmethyl)-2,6-dimethoxy-benzamide

SMILES [?]:

COc1cccc(c1C(=O)N(Cc2ccccc2)Cc3ccco3)OC

InChi [?]:

InChI=1/C21H21NO4/c1-24-18-11-6-12-19(25-2)20(18)21(23)22(15-17-10-7-13-26-17)14-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,26,16,15,17,5,22,14,18,21,4,6,23,12,19,13,20,3,7,8,9,11,10,2,25,24/E:(1,2)(4,5)(8,9)(11,12)(18,19)(24,25)/rA:26nCOCCCCCCCONCCCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s7;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁NO₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	7.07046
Area:	526.424
Solvation:	-6.09015
Coulombic:	-38.7838

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	351.396
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.52
LogP (Chemaxon):	3.19

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