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Chemical ID: 6636932

Chemical ID:

6636932

Name [?]:

N-(4-pentylphenyl)-2-phenoxy-propanamide

SMILES [?]:

CCCCCc1ccc(cc1)NC(=O)C(C)Oc2ccccc2

InChi [?]:

InChI=1/C20H25NO2/c1-3-4-6-9-17-12-14-18(15-13-17)21-20(22)16(2)23-19-10-7-5-8-11-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,16,2,3,21,4,20,22,5,19,23,7,11,8,10,15,6,9,18,13,12,14,17/E:(7,8)(10,11)(12,13)(14,15)/rA:23cCCCCCCCCCCCNCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6381
Area:	566.033
Solvation:	-3.51274
Coulombic:	-31.7217

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	311.418
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.81
LogP (Chemaxon):	5.47

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