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Chemical ID: 6157401

Chemical ID:

6157401

Name [?]:

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

SMILES [?]:

CC(C)N(Cc1ccccc1)C(=O)C=Cc2ccc(cc2)OC

InChi [?]:

InChI=1/C20H23NO2/c1-16(2)21(15-18-7-5-4-6-8-18)20(22)14-11-17-9-12-19(23-3)13-10-17/h4-14,16H,15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,23,9,8,10,7,11,17,21,15,18,20,14,5,2,16,6,19,12,4,13,22/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:23nCCCNCCCCCCCCOCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.03294
Area:	502.118
Solvation:	-3.52
Coulombic:	-26.7203

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	309.402
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.35
LogP (Chemaxon):	4.06

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