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Chemical ID: 4313429

Chemical ID:

4313429

Name [?]:

(3,4-diethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)-methanone

SMILES [?]:

CCOc1ccc(cc1OCC)C(=O)N2CC(OC(C2)C)C

InChi [?]:

InChI=1/C17H25NO4/c1-5-20-15-8-7-14(9-16(15)21-6-2)17(19)18-10-12(3)22-13(4)11-18/h7-9,12-13H,5-6,10-11H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,12,21,22,2,11,6,5,8,20,16,19,17,7,4,9,13,15,14,3,10,18/E:(3,4)(10,11)(12,13)/rA:22cCCOCCCCCCOCCCONCCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;d13;s13;s15;s16;s17;s18;s15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₅NO₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	7.21716
Area:	528.17
Solvation:	-5.98708
Coulombic:	-39.4193

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	307.385
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.5
LogP (Chemaxon):	1.85

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