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Chemical ID: 7496801

Chemical ID:

7496801

Name [?]:

N-[(2,4-dimethoxyphenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide

SMILES [?]:

CC(C)c1ccccc1OCC(=O)NN=Cc2ccc(cc2OC)OC

InChi [?]:

InChI=1/C20H24N2O4/c1-14(2)17-7-5-6-8-18(17)26-13-20(23)22-21-12-15-9-10-16(24-3)11-19(15)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,3,26,24,6,7,5,8,18,19,21,16,11,2,17,20,4,9,22,12,15,14,13,25,23,10/E:(1,2)/rA:26nCCCCCCCCCOCCONNCCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₄
All Atoms:	50
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	6.05195
Area:	599.972
Solvation:	-8.94735
Coulombic:	-38.5394

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	356.416
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.7
LogP (Chemaxon):	3.71

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