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Chemical ID: 7297215

Chemical ID:

7297215

Name [?]:

2-(4-propanoylphenoxy)-N-(p-tolyl)acetamide

SMILES [?]:

CCC(=O)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,22,2,18,20,6,10,17,21,7,9,12,19,5,16,8,3,13,15,4,14,11/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCOCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.06972
Area:	524.209
Solvation:	-5.0355
Coulombic:	-36.0257

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:	3.21
LogP (Chemaxon):	3.28

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