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Chemical ID: 5595639

Chemical ID:

5595639

Name [?]:

N-[(3-allyl-2-hydroxy-phenyl)methyleneamino]-2-(4-ethoxyphenyl)amino-acetamide

SMILES [?]:

CCOc1ccc(cc1)NCC(=O)NN=Cc2cccc(c2O)CC=C

InChi [?]:

InChI=1/C20H23N3O3/c1-3-6-15-7-5-8-16(20(15)25)13-22-23-19(24)14-21-17-9-11-18(12-10-17)26-4-2/h3,5,7-13,21,25H,1,4,6,14H2,2H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:26,1,25,2,19,24,20,18,6,8,5,9,16,11,21,17,7,4,12,22,10,15,14,13,23,3/E:(9,10)(11,12)/rA:26nCCOCCCCCCNCCONNCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s21;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃N₃O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.53642
Area:	613.065
Solvation:	-5.7902
Coulombic:	-55.4218

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	353.415
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.42
LogP (Chemaxon):	3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value