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Chemical ID: 6990088

Chemical ID:

6990088

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C18H20N2O3/c1-12-8-13(2)10-17(9-12)23-11-18(22)20-16-6-4-15(5-7-16)19-14(3)21/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,23,22,15,17,14,18,3,7,5,9,2,4,20,16,13,6,10,19,12,21,11,8/E:(1,2)(4,5)(6,7)(9,10)(12,13)/rA:23nCCCCCCCOCCONCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₃
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.19385
Area:	543.189
Solvation:	-5.38588
Coulombic:	-46.4716

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	312.363
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.38
LogP (Chemaxon):	3.14

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value