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Chemical ID: 4162736

Chemical ID:

4162736

Name [?]:

2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-4-methoxy-phenyl)methyleneamino]acetamide

SMILES [?]:

Cc1ccc(c(c1)C)OCC(=O)NN=Cc2ccc(cc2O)OC

InChi [?]:

InChI=1/C18H20N2O4/c1-12-4-7-17(13(2)8-12)24-11-18(22)20-19-10-14-5-6-15(23-3)9-16(14)21/h4-10,21H,11H2,1-3H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,8,24,3,17,18,4,7,20,15,10,2,6,16,19,21,5,11,14,13,22,12,23,9/rA:24nCCCCCCCCOCCONNCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s19;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.47946
Area:	557.603
Solvation:	-7.46062
Coulombic:	-48.0022

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	328.362
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.85
LogP (Chemaxon):	3.41

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