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Chemical ID: 6620960

Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3)C

Chemical ID:

6620960

Name [?]:

N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(2,5-dimethylphenoxy)-acetamide

SMILES [?]:

Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3)C

InChi [?]:

InChI=1/C25H26N2O4/c1-18-9-10-19(2)23(13-18)31-17-25(28)27-26-15-21-11-12-22(24(14-21)29-3)30-16-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,31,22,28,27,29,26,30,3,4,16,17,7,20,14,24,9,2,5,25,15,18,6,19,10,13,12,11,21,23,8/E:(5,6)(7,8)/rA:31nCCCCCCCOCCONNCCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	8.08839
Area:	695.294
Solvation:	-9.29396
Coulombic:	-40.8241

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	418.485
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.61
LogP (Chemaxon):	5.22

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

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

Chemical Mix	Source	External ID	Descriptor	Value