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Chemical ID: 4160401

Chemical ID:

4160401

Name [?]:

2-[4-(2,4-dimethylphenoxy)butanoylamino]benzamide

SMILES [?]:

Cc1ccc(c(c1)C)OCCCC(=O)Nc2ccccc2C(=O)N

InChi [?]:

InChI=1/C19H22N2O3/c1-13-9-10-17(14(2)12-13)24-11-5-8-18(22)21-16-7-4-3-6-15(16)19(20)23/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H2,20,23)(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,8,19,18,11,20,17,12,3,4,10,7,2,6,21,16,5,13,22,24,15,14,23,9/rA:24nCCCCCCCCOCCCCONCCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.89463
Area:	561.261
Solvation:	-4.1369
Coulombic:	-54.0411

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	326.39
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	3.17
LogP (Chemaxon):	3.54

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