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Chemical ID: 6990089

Chemical ID:

6990089

Name [?]:

2-(3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-acetamide

SMILES [?]:

Cc1cc(cc(c1)OCC(=O)Nc2ccc(cc2)OC)C

InChi [?]:

InChI=1/C17H19NO3/c1-12-8-13(2)10-16(9-12)21-11-17(19)18-14-4-6-15(20-3)7-5-14/h4-10H,11H2,1-3H3,(H,18,19)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₃
All Atoms:	40
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.42836
Area:	504.539
Solvation:	-5.18511
Coulombic:	-35.2742

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	285.338
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.46
LogP (Chemaxon):	3.56

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