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Chemical ID: 4153790

Chemical ID:

4153790

Name [?]:

4-(4-ethylphenoxy)-N-(1-naphthyl)butanamide

SMILES [?]:

CCc1ccc(cc1)OCCCC(=O)Nc2cccc3c2cccc3

InChi [?]:

InChI=1/C22H23NO2/c1-2-17-12-14-19(15-13-17)25-16-6-11-22(24)23-21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-10,12-15H,2,6,11,16H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,24,23,18,11,25,19,22,17,12,4,8,5,7,10,3,20,6,21,16,13,15,14,9/E:(12,13)(14,15)/rA:25nCCCCCCCCOCCCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃NO₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6361
Area:	578.629
Solvation:	-3.82957
Coulombic:	-29.8108

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	333.424
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.36
LogP (Chemaxon):	5.17

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value