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Chemical ID: 4149134

Chemical ID:

4149134

Name [?]:

N-(o-tolyl)-2-(4-phenylphenoxy)-acetamide

SMILES [?]:

Cc1ccccc1NC(=O)COc2ccc(cc2)c3ccccc3

InChi [?]:

InChI=1/C21H19NO2/c1-16-7-5-6-10-20(16)22-21(23)15-24-19-13-11-18(12-14-19)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,4,5,3,20,24,6,15,17,14,18,11,2,19,16,13,7,9,8,10,12/E:(3,4)(8,9)(11,12)(13,14)/rA:24nCCCCCCCNCOCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉NO₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.29619
Area:	544.415
Solvation:	-4.31417
Coulombic:	-30.7527

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	317.381
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.84
LogP (Chemaxon):	4.38

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