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Chemical ID: 6839195

Chemical ID:

6839195

Name [?]:

N-benzyl-3-(3,4-diethoxyphenyl)-N-methyl-prop-2-enamide

SMILES [?]:

CCOc1ccc(cc1OCC)C=CC(=O)N(C)Cc2ccccc2

InChi [?]:

InChI=1/C21H25NO3/c1-4-24-19-13-11-17(15-20(19)25-5-2)12-14-21(23)22(3)16-18-9-7-6-8-10-18/h6-15H,4-5,16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,12,18,2,11,23,22,24,21,25,6,13,5,14,8,19,7,20,4,9,15,17,16,3,10/E:(7,8)(9,10)/rA:25nCCOCCCCCCOCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;d15;s15;s17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₃
All Atoms:	50
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.87241
Area:	574.023
Solvation:	-5.47818
Coulombic:	-33.0794

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	339.428
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.96
LogP (Chemaxon):	3.74

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