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Chemical ID: 4157197

Chemical ID:

4157197

Name [?]:

N-(4-acetylphenyl)-4-(4-methoxyphenoxy)-butanamide

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)CCCOc2ccc(cc2)OC

InChi [?]:

InChI=1/C19H21NO4/c1-14(21)15-5-7-16(8-6-15)20-19(22)4-3-13-24-18-11-9-17(23-2)10-12-18/h5-12H,3-4,13H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,24,14,13,5,9,6,8,19,21,18,22,15,2,4,7,20,17,11,10,3,12,23,16/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCOCCCCCCNCOCCCOCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.26607
Area:	571.825
Solvation:	-6.02956
Coulombic:	-41.2551

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	327.374
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.95
LogP (Chemaxon):	2.36

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