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Chemical ID: 7247618

Chemical ID:

7247618

Name [?]:

N-ethyl-3-phenoxy-N-(4-pyridylmethyl)benzamide

SMILES [?]:

CCN(Cc1ccncc1)C(=O)c2cccc(c2)Oc3ccccc3

InChi [?]:

InChI=1/C21H20N2O2/c1-2-23(16-17-11-13-22-14-12-17)21(24)18-7-6-10-20(15-18)25-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,23,22,24,15,14,21,25,16,6,10,7,9,18,4,5,13,20,17,11,8,3,12,19/E:(4,5)(8,9)(11,12)(13,14)/rA:25nCCNCCCCNCCCOCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₂O₂
All Atoms:	45
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.99981
Area:	536.93
Solvation:	-3.42345
Coulombic:	-31.4162

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	332.396
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.93
LogP (Chemaxon):	3.43

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value