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Chemical ID: 6156980

CCC(C)c1ccccc1NC(=O)C(=Cc2ccccc2)c3ccccc3

Chemical ID:

6156980

Name [?]:

2,3-diphenyl-N-(2-sec-butylphenyl)-prop-2-enamide

SMILES [?]:

CCC(C)c1ccccc1NC(=O)C(=Cc2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C25H25NO/c1-3-19(2)22-16-10-11-17-24(22)26-25(27)23(21-14-8-5-9-15-21)18-20-12-6-4-7-13-20/h4-19H,3H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,4,2,19,25,18,20,24,26,7,8,17,21,23,27,6,9,15,3,16,22,5,14,10,12,11,13/E:(6,7)(8,9)(12,13)(14,15)/rA:27cCCCCCCCCCCNCOCCCCCCCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s14;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅NO
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3261
Area:	578.425
Solvation:	-2.13457
Coulombic:	-26.878

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	355.472
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.89
LogP (Chemaxon):	6.13

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value