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Chemical ID: 4347433

Chemical ID:

4347433

Name [?]:

2-(3-methylphenoxy)-N-(4-sec-butylphenyl)-acetamide

SMILES [?]:

CCC(C)c1ccc(cc1)NC(=O)COc2cccc(c2)C

InChi [?]:

InChI=1/C19H23NO2/c1-4-15(3)16-8-10-17(11-9-16)20-19(21)13-22-18-7-5-6-14(2)12-18/h5-12,15H,4,13H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,4,2,18,19,17,6,10,7,9,21,14,20,3,5,8,16,12,11,13,15/E:(8,9)(10,11)/rA:22cCCCCCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.45871
Area:	535.822
Solvation:	-3.93684
Coulombic:	-30.0241

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	297.391
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.09
LogP (Chemaxon):	4.93

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