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Chemical ID: 3953734

Chemical ID:

3953734

Name [?]:

N-(2,4-dimethoxyphenyl)-2-(2-furylmethylamino)acetamide

SMILES [?]:

COc1ccc(c(c1)OC)NC(=O)CNCc2ccco2

InChi [?]:

InChI=1/C15H18N2O4/c1-19-11-5-6-13(14(8-11)20-2)17-15(18)10-16-9-12-4-3-7-21-12/h3-8,16H,9-10H2,1-2H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,10,19,18,4,5,20,8,16,14,3,17,6,7,12,15,11,13,2,9,21/rA:21nCOCCCCCCOCNCOCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₂O₄
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.86661
Area:	507.524
Solvation:	-5.8215
Coulombic:	-49.4684

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	290.315
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	0.8
LogP (Chemaxon):	1.1

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