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Chemical ID: 6987645

Chemical ID:

6987645

Name [?]:

2-(2-isopropylphenoxy)-N-(1-naphthylmethyleneamino)acetamide

SMILES [?]:

CC(C)c1ccccc1OCC(=O)NN=Cc2cccc3c2cccc3

InChi [?]:

InChI=1/C22H22N2O2/c1-16(2)19-11-5-6-13-21(19)26-15-22(25)24-23-14-18-10-7-9-17-8-3-4-12-20(17)18/h3-14,16H,15H2,1-2H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,3,25,24,6,7,19,26,20,18,5,23,8,16,11,2,21,17,4,22,9,12,15,14,13,10/E:(1,2)/rA:26nCCCCCCCCCOCCONNCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂N₂O₂
All Atoms:	48
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.99265
Area:	579.331
Solvation:	-5.49062
Coulombic:	-28.561

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	346.422
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.14
LogP (Chemaxon):	5.21

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