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Chemical ID: 6990124

Chemical ID:

6990124

Name [?]:

N-(4-acetylphenyl)-2-(2,6-dimethylphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1OCC(=O)Nc2ccc(cc2)C(=O)C)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,22,21,4,3,5,15,17,14,18,9,2,6,19,16,13,10,7,12,20,11,8/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:22nCCCCCCCOCCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.18434
Area:	516.609
Solvation:	-4.73088
Coulombic:	-36.1788

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	297.348
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.97
LogP (Chemaxon):	3.12

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