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Chemical ID: 7361847

Chemical ID:

7361847

Name [?]:

2-cyclopentyl-N-[4-(4-ethoxyphenoxy)phenyl]-acetamide

SMILES [?]:

CCOc1ccc(cc1)Oc2ccc(cc2)NC(=O)CC3CCCC3

InChi [?]:

InChI=1/C21H25NO3/c1-2-24-18-11-13-20(14-12-18)25-19-9-7-17(8-10-19)22-21(23)15-16-5-3-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,23,24,22,25,13,15,12,16,5,9,6,8,20,21,14,4,11,7,18,17,19,3,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCCOCCCCCCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₃
All Atoms:	50
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2962
Area:	572.148
Solvation:	-4.00745
Coulombic:	-35.8237

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	339.428
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.22
LogP (Chemaxon):	4.53

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