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Chemical ID: 4453117

Chemical ID:

4453117

Name [?]:

2-(4-methoxyphenoxy)-N-methyl-N-phenyl-acetamide

SMILES [?]:

CN(c1ccccc1)C(=O)COc2ccc(cc2)OC

InChi [?]:

InChI=1/C16H17NO3/c1-17(13-6-4-3-5-7-13)16(18)12-20-15-10-8-14(19-2)9-11-15/h3-11H,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,6,5,7,4,8,15,17,14,18,11,3,16,13,9,2,10,19,12/E:(4,5)(6,7)(8,9)(10,11)/rA:20nCNCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇NO₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	6.53738
Area:	479.269
Solvation:	-5.44435
Coulombic:	-30.847

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	271.311
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.73
LogP (Chemaxon):	2.39

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