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Chemical ID: 4325706

Chemical ID:

4325706

Name [?]:

N-(2,5-dimethoxyphenyl)-3-(p-tolyl)prop-2-enamide

SMILES [?]:

Cc1ccc(cc1)C=CC(=O)Nc2cc(ccc2OC)OC

InChi [?]:

InChI=1/C18H19NO3/c1-13-4-6-14(7-5-13)8-11-18(20)19-16-12-15(21-2)9-10-17(16)22-3/h4-12H,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,22,20,3,7,4,6,8,16,17,9,14,2,5,15,13,18,10,12,11,21,19/E:(4,5)(6,7)/rA:22nCCCCCCCCCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.81391
Area:	501.38
Solvation:	-4.7206
Coulombic:	-36.269

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	297.348
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.53
LogP (Chemaxon):	3.65

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