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Chemical ID: 4774057

Chemical ID:

4774057

Name [?]:

N-(4-acetylphenyl)-2-(4-methoxyphenoxy)-acetamide

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)OC

InChi [?]:

InChI=1/C17H17NO4/c1-12(19)13-3-5-14(6-4-13)18-17(20)11-22-16-9-7-15(21-2)8-10-16/h3-10H,11H2,1-2H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,22,5,9,6,8,17,19,16,20,13,2,4,7,18,15,11,10,3,12,21,14/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCOCCCCCCNCOCOCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇NO₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.65859
Area:	518.489
Solvation:	-6.30364
Coulombic:	-41.944

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	299.321
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.43
LogP (Chemaxon):	1.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value