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Chemical ID: 7270470

Chemical ID:

7270470

Name [?]:

2-(2-allyl-4-methoxy-phenoxy)-N-(p-tolyl)acetamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)COc2ccc(cc2CC=C)OC

InChi [?]:

InChI=1/C19H21NO3/c1-4-5-15-12-17(22-3)10-11-18(15)23-13-19(21)20-16-8-6-14(2)7-9-16/h4,6-12H,1,5,13H2,2-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:21,1,23,20,19,3,7,4,6,15,14,17,11,2,18,5,16,13,9,8,10,22,12/E:(6,7)(8,9)/rA:23nCCCCCCCNCOCOCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₃
All Atoms:	44
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.20199
Area:	545.803
Solvation:	-5.44308
Coulombic:	-36.8158

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	311.375
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.11
LogP (Chemaxon):	4.13

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value