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Chemical ID: 5156802

Chemical ID:

5156802

Name [?]:

2-cyano-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-propanamide

SMILES [?]:

COc1ccc(cc1)CC(C#N)C(=O)Nc2ccccc2OC

InChi [?]:

InChI=1/C18H18N2O3/c1-22-15-9-7-13(8-10-15)11-14(12-19)18(21)20-16-5-3-4-6-17(16)23-2/h3-10,14H,11H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,23,18,19,17,20,5,7,4,8,9,11,6,10,3,16,21,13,12,15,14,2,22/E:(7,8)(9,10)/rA:23cCOCCCCCCCCCNCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;t11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	8.39384
Area:	530.837
Solvation:	-4.8771
Coulombic:	-38.6026

Bond Count [?]

All:	24
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	310.347
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.09
LogP (Chemaxon):	3.24

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