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Chemical ID: 7282640

Chemical ID:

7282640

Name [?]:

2-(4-acetylphenoxy)-N-(m-tolyl)acetamide

SMILES [?]:

Cc1cccc(c1)NC(=O)COc2ccc(cc2)C(=O)C

InChi [?]:

InChI=1/C17H17NO3/c1-12-4-3-5-15(10-12)18-17(20)11-21-16-8-6-14(7-9-16)13(2)19/h3-10H,11H2,1-2H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,21,4,3,5,15,17,14,18,7,11,2,19,16,6,13,9,8,20,10,12/E:(6,7)(8,9)/rA:21nCCCCCCCNCOCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇NO₃
All Atoms:	38
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.4358
Area:	501.681
Solvation:	-5.10622
Coulombic:	-35.5215

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	283.322
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.95
LogP (Chemaxon):	2.65

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