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Chemical ID: 7292357

Chemical ID:

7292357

Name [?]:

3-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-propanamide

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)CCc2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C19H23NO3/c1-13-5-8-16(14(2)11-13)20-19(21)10-7-15-6-9-17(22-3)18(12-15)23-4/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,8,23,21,3,15,13,4,16,12,7,19,2,6,14,5,17,18,10,9,11,22,20/rA:23nCCCCCCCCNCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃NO₃
All Atoms:	46
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.09796
Area:	549.412
Solvation:	-5.63733
Coulombic:	-34.4975

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	313.391
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.2
LogP (Chemaxon):	3.39

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