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Chemical ID: 4355842

Chemical ID:

4355842

Name [?]:

N-(3,5-dimethylphenyl)-N'-(2-furylmethyl)oxamide

SMILES [?]:

Cc1cc(cc(c1)NC(=O)C(=O)NCc2ccco2)C

InChi [?]:

InChI=1/C15H16N2O3/c1-10-6-11(2)8-12(7-10)17-15(19)14(18)16-9-13-4-3-5-20-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,20,17,16,18,3,7,5,14,2,4,6,15,11,9,13,8,12,10,19/E:(1,2)(7,8)(10,11)/rA:20nCCCCCCCNCOCONCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;s14;d15;s16;d17;s15s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂O₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.31917
Area:	490.076
Solvation:	-2.93273
Coulombic:	-53.1746

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	272.299
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.74
LogP (Chemaxon):	2.34

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value