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Chemical ID: 4452995

Chemical ID:

4452995

Name [?]:

N-benzyl-N-ethyl-3-(4-methoxyphenyl)-prop-2-enamide

SMILES [?]:

CCN(Cc1ccccc1)C(=O)C=Cc2ccc(cc2)OC

InChi [?]:

InChI=1/C19H21NO2/c1-3-20(15-17-7-5-4-6-8-17)19(21)14-11-16-9-12-18(22-2)13-10-16/h4-14H,3,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,2,8,7,9,6,10,16,20,14,17,19,13,4,15,5,18,11,3,12,21/E:(5,6)(7,8)(9,10)(12,13)/rA:22nCCNCCCCCCCCOCCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.78675
Area:	496.053
Solvation:	-3.61459
Coulombic:	-26.4785

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	295.376
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.89
LogP (Chemaxon):	3.65

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