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Chemical ID: 4157098

Chemical ID:

4157098

Name [?]:

N-(2,3-dimethylphenyl)-4-(4-methoxyphenoxy)-butanamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)CCCOc2ccc(cc2)OC

InChi [?]:

InChI=1/C19H23NO3/c1-14-6-4-7-18(15(14)2)20-19(21)8-5-13-23-17-11-9-16(22-3)10-12-17/h4,6-7,9-12H,5,8,13H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,8,23,4,13,3,5,12,18,20,17,21,14,2,7,19,16,6,10,9,11,22,15/E:(9,10)(11,12)/rA:23nCCCCCCCCNCOCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.75007
Area:	548.379
Solvation:	-4.9594
Coulombic:	-34.509

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	313.391
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.77
LogP (Chemaxon):	3.34

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