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Chemical ID: 7304801

CCOc1cc(c(cc1N2CCOCC2)OCC)NC(=O)COc3ccccc3

Chemical ID:

7304801

Name [?]:

N-(2,5-diethoxy-4-morpholino-phenyl)-2-phenoxy-acetamide

SMILES [?]:

CCOc1cc(c(cc1N2CCOCC2)OCC)NC(=O)COc3ccccc3

InChi [?]:

InChI=1/C22H28N2O5/c1-3-27-20-15-19(24-10-12-26-13-11-24)21(28-4-2)14-18(20)23-22(25)16-29-17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:18,1,17,2,27,26,28,25,29,11,15,12,14,5,8,22,24,6,9,7,4,20,19,10,21,13,16,3,23/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCCOCCCCCCNCCOCCOCCNCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s7;s16;s17;s6;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₅
All Atoms:	57
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	8.45569
Area:	644.668
Solvation:	-7.66102
Coulombic:	-57.4096

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	400.468
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.16
LogP (Chemaxon):	2.98

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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