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Chemical ID: 7267215

Chemical ID:

7267215

Name [?]:

2-[4-acetyl-2-(methoxymethyl)phenoxy]-N-(1-phenylethyl)acetamide

SMILES [?]:

CC(c1ccccc1)NC(=O)COc2ccc(cc2COC)C(=O)C

InChi [?]:

InChI=1/C20H23NO4/c1-14(16-7-5-4-6-8-16)21-20(23)13-25-19-10-9-17(15(2)22)11-18(19)12-24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,25,22,6,5,7,4,8,16,15,18,20,12,2,23,3,17,19,14,10,9,24,11,21,13/E:(5,6)(7,8)/rA:25cCCCCCCCCNCOCOCCCCCCCOCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s17;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃NO₄
All Atoms:	48
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	8.41227
Area:	593.161
Solvation:	-6.41676
Coulombic:	-44.9283

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	341.401
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.89
LogP (Chemaxon):	1.96

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value