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Chemical ID: 6987673

Chemical ID:

6987673

Name [?]:

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

SMILES [?]:

CCOc1cc(ccc1O)C=NNC(=O)COc2ccccc2C(C)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,25,26,2,21,20,22,19,7,8,5,11,16,24,6,23,9,18,4,14,12,13,10,15,3,17/E:(2,3)/rA:26nCCOCCCCCCOCNNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	7.49986
Area:	619.241
Solvation:	-7.98117
Coulombic:	-49.3106

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	356.416
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.8
LogP (Chemaxon):	4.02

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