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Chemical ID: 6147854

Chemical ID:

6147854

Name [?]:

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

SMILES [?]:

CCCc1ccc(cc1)OCCCC(=O)Nc2cccc3c2cccc3

InChi [?]:

InChI=1/C23H25NO2/c1-2-7-18-13-15-20(16-14-18)26-17-6-12-23(25)24-22-11-5-9-19-8-3-4-10-21(19)22/h3-5,8-11,13-16H,2,6-7,12,17H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,25,24,19,12,3,26,20,23,18,13,5,9,6,8,11,4,21,7,22,17,14,16,15,10/E:(13,14)(15,16)/rA:26nCCCCCCCCCOCCCCONCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅NO₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2912
Area:	605.536
Solvation:	-3.84719
Coulombic:	-30.1499

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	347.45
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.93
LogP (Chemaxon):	5.57

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