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Chemical ID: 7479875

Chemical ID:

7479875

Name [?]:

4-hexoxy-N-(p-tolyl)benzamide

SMILES [?]:

CCCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C

InChi [?]:

InChI=1/C20H25NO2/c1-3-4-5-6-15-23-19-13-9-17(10-14-19)20(22)21-18-11-7-16(2)8-12-18/h7-14H,3-6,15H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,23,2,3,4,5,19,21,10,12,18,22,9,13,6,20,11,17,8,14,16,15,7/E:(7,8)(9,10)(11,12)(13,14)/rA:23nCCCCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₂
All Atoms:	48
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3105
Area:	570.984
Solvation:	-2.96416
Coulombic:	-31.4251

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	311.418
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.83
LogP (Chemaxon):	5.32

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