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Chemical ID: 5098716

Chemical ID:

5098716

Name [?]:

2-benzylamino-N-(4-phenoxyphenyl)-acetamide

SMILES [?]:

c1ccc(cc1)CNCC(=O)Nc2ccc(cc2)Oc3ccccc3

InChi [?]:

InChI=1/C21H20N2O2/c24-21(16-22-15-17-7-3-1-4-8-17)23-18-11-13-20(14-12-18)25-19-9-5-2-6-10-19/h1-14,22H,15-16H2,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,23,2,6,22,24,3,5,21,25,14,18,15,17,7,9,4,13,20,16,10,8,12,11,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCCCCCCCNCCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.3345
Area:	571.132
Solvation:	-3.9438
Coulombic:	-39.0819

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	332.396
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.75
LogP (Chemaxon):	4.08

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