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Chemical ID: 6156884

Chemical ID:

6156884

Name [?]:

N-methyl-N,2,3-triphenyl-prop-2-enamide

SMILES [?]:

CN(c1ccccc1)C(=O)C(=Cc2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C22H19NO/c1-23(20-15-9-4-10-16-20)22(24)21(19-13-7-3-8-14-19)17-18-11-5-2-6-12-18/h2-17H,1H3

InChi Info:

AuxInfo=1/0/N:1,16,22,6,15,17,21,23,5,7,14,18,20,24,4,8,12,13,19,3,11,9,2,10/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:24nCNCCCCCCCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉NO
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7536
Area:	511.493
Solvation:	-2.03377
Coulombic:	-22.3215

Bond Count [?]

All:	26
Single:	15
Double:	11
Rotors:	5
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	313.392
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.26
LogP (Chemaxon):	4.96

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