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Chemical ID: 6987640

Chemical ID:

6987640

Name [?]:

N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide

SMILES [?]:

CC(C)c1ccccc1OCC(=O)NN=Cc2ccc(c(c2)OC)O

InChi [?]:

InChI=1/C19H22N2O4/c1-13(2)15-6-4-5-7-17(15)25-12-19(23)21-20-11-14-8-9-16(22)18(10-14)24-3/h4-11,13,22H,12H2,1-3H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,3,24,6,7,5,8,18,19,22,16,11,2,17,4,20,9,21,12,15,14,25,13,23,10/E:(1,2)/rA:25nCCCCCCCCCOCCONNCCCCCCCOCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₂O₄
All Atoms:	47
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	6.76943
Area:	592.775
Solvation:	-8.04993
Coulombic:	-49.0414

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	342.389
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.38
LogP (Chemaxon):	3.67

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