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Chemical ID: 5196144

Chemical ID:

5196144

Name [?]:

2-cyclohexyl-N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]acetamide

SMILES [?]:

CCOc1ccc(cc1OC)C=NNC(=O)CC2CCCCC2

InChi [?]:

InChI=1/C18H26N2O3/c1-3-23-16-10-9-15(11-17(16)22-2)13-19-20-18(21)12-14-7-5-4-6-8-14/h9-11,13-14H,3-8,12H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,11,2,21,20,22,19,23,6,5,8,17,12,18,7,4,9,15,13,14,16,10,3/E:(5,6)(7,8)/rA:23nCCOCCCCCCOCCNNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₆N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.28235
Area:	550.382
Solvation:	-6.4772
Coulombic:	-32.059

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	318.411
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.96
LogP (Chemaxon):	3.39

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