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Chemical ID: 4136709

C=CCc1ccccc1OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3

Chemical ID:

4136709

Name [?]:

2-(2-allylphenoxy)-N-[(3-benzyloxyphenyl)methyleneamino]acetamide

SMILES [?]:

C=CCc1ccccc1OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3

InChi [?]:

InChI=1/C25H24N2O3/c1-2-9-22-13-6-7-15-24(22)30-19-25(28)27-26-17-21-12-8-14-23(16-21)29-18-20-10-4-3-5-11-20/h2-8,10-17H,1,9,18-19H2,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,28,27,29,6,7,19,3,26,30,18,5,20,8,22,16,24,11,25,17,4,21,9,12,15,14,13,23,10/E:(4,5)(10,11)/rA:30nCCCCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.94804
Area:	678.015
Solvation:	-7.00233
Coulombic:	-37.0442

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	400.47
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.38
LogP (Chemaxon):	5.59

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