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Chemical ID: 6174023

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

Chemical ID:

6174023

Name [?]:

N'-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-N-(4-ethoxyphenyl)-oxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

InChi [?]:

InChI=1/C25H25N3O5/c1-3-32-21-12-10-20(11-13-21)27-24(29)25(30)28-26-16-19-9-14-22(23(15-19)31-2)33-17-18-7-5-4-6-8-18/h4-16H,3,17H2,1-2H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,25,2,31,30,32,29,33,19,6,8,5,9,20,23,17,27,28,18,7,4,21,22,11,13,16,10,15,12,14,24,3,26/E:(5,6)(7,8)(10,11)(12,13)/rA:33nCCOCCCCCCNCOCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅N₃O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2143
Area:	721.941
Solvation:	-7.83427
Coulombic:	-66.3698

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	447.483
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	4.63
LogP (Chemaxon):	4.34

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

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Chemical Mix	Source	External ID	Descriptor	Value