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Chemical ID: 7284366

Chemical ID:

7284366

Name [?]:

N-[1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)-butanamide

SMILES [?]:

Cc1ccc(cc1)OCCCC(=O)NC(C)c2ccccc2OC

InChi [?]:

InChI=1/C20H25NO3/c1-15-10-12-17(13-11-15)24-14-6-9-20(22)21-16(2)18-7-4-5-8-19(18)23-3/h4-5,7-8,10-13,16H,6,9,14H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,16,24,19,20,10,18,21,11,3,7,4,6,9,2,15,5,17,22,12,14,13,23,8/E:(10,11)(12,13)/rA:24cCCCCCCCOCCCCONCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;s15;s15;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₃
All Atoms:	49
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	9.42669
Area:	578.229
Solvation:	-5.02904
Coulombic:	-36.3315

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	327.417
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.21
LogP (Chemaxon):	3.55

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