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Chemical ID: 7295137

Chemical ID:

7295137

Name [?]:

N-(4-acetylphenyl)-2-(3-ethylphenoxy)-acetamide

SMILES [?]:

CCc1cccc(c1)OCC(=O)Nc2ccc(cc2)C(=O)C

InChi [?]:

InChI=1/C18H19NO3/c1-3-14-5-4-6-17(11-14)22-12-18(21)19-16-9-7-15(8-10-16)13(2)20/h4-11H,3,12H2,1-2H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,22,2,5,4,6,16,18,15,19,8,10,20,3,17,14,7,11,13,21,12,9/E:(7,8)(9,10)/rA:22nCCCCCCCCOCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₃
All Atoms:	41
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.15534
Area:	527.075
Solvation:	-5.02154
Coulombic:	-36.0206

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	297.348
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.42
LogP (Chemaxon):	3.05

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