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Chemical ID: 6490221

CC(C(=O)NN=Cc1ccc(cc1)OC)Oc2ccc(cc2)OCc3ccccc3

Chemical ID:

6490221

Name [?]:

2-(4-benzyloxyphenoxy)-N-[(4-methoxyphenyl)methyleneamino]propanamide

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OC)Oc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C24H24N2O4/c1-18(24(27)26-25-16-19-8-10-21(28-2)11-9-19)30-23-14-12-22(13-15-23)29-17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,15,28,27,29,26,30,9,13,10,12,19,21,18,22,7,24,2,8,25,11,20,17,3,6,5,4,14,23,16/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCONNCCCCCCCOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s2;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	8.925
Area:	669.541
Solvation:	-7.81352
Coulombic:	-42.4882

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	404.458
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.74
LogP (Chemaxon):	4.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value