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Chemical ID: 6156940

Chemical ID:

6156940

Name [?]:

N-(4-ethylphenyl)-2,3-diphenyl-prop-2-enamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)C(=Cc2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C23H21NO/c1-2-18-13-15-21(16-14-18)24-23(25)22(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-17H,2H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,17,23,16,18,22,24,15,19,21,25,4,8,5,7,13,3,14,20,6,12,10,9,11/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:25nCCCCCCCCNCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁NO
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7693
Area:	555.104
Solvation:	-2.10831
Coulombic:	-26.1393

Bond Count [?]

All:	27
Single:	16
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	327.419
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.02
LogP (Chemaxon):	6.05

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