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Chemical ID: 6334744

Chemical ID:

6334744

Name [?]:

4-methoxy-N-(2,4,6-trimethylphenyl)-benzamide

SMILES [?]:

Cc1cc(c(c(c1)C)NC(=O)c2ccc(cc2)OC)C

InChi [?]:

InChI=1/C17H19NO2/c1-11-9-12(2)16(13(3)10-11)18-17(19)14-5-7-15(20-4)8-6-14/h5-10H,1-4H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,8,20,19,13,17,14,16,7,3,2,6,4,12,15,5,10,9,11,18/E:(2,3)(5,6)(7,8)(9,10)(12,13)/rA:20nCCCCCCCCNCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.64802
Area:	470.653
Solvation:	-3.1183
Coulombic:	-29.3684

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	269.338
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.8
LogP (Chemaxon):	2.95

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