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Chemical ID: 7475519

Chemical ID:

7475519

Name [?]:

2-acetamido-N-benzyl-3-(o-tolyl)prop-2-enamide

SMILES [?]:

Cc1ccccc1C=C(C(=O)NCc2ccccc2)NC(=O)C

InChi [?]:

InChI=1/C19H20N2O2/c1-14-8-6-7-11-17(14)12-18(21-15(2)22)19(23)20-13-16-9-4-3-5-10-16/h3-12H,13H2,1-2H3,(H,20,23)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,23,17,16,18,4,5,3,15,19,6,8,13,2,21,14,7,9,10,12,20,22,11/E:(4,5)(9,10)/rA:23nCCCCCCCCCCONCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s9;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀N₂O₂
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.018
Area:	525.526
Solvation:	-3.12012
Coulombic:	-44.4516

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	308.374
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.42
LogP (Chemaxon):	2.56

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