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Chemical ID: 6457741

Chemical ID:

6457741

Name [?]:

4-(4-methoxyphenyl)-N-phenyl-tetrahydropyran-4-carboxamide

SMILES [?]:

COc1ccc(cc1)C2(CCOCC2)C(=O)Nc3ccccc3

InChi [?]:

InChI=1/C19H21NO3/c1-22-17-9-7-15(8-10-17)19(11-13-23-14-12-19)18(21)20-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,19,23,5,7,4,8,10,14,11,13,6,18,3,15,9,17,16,2,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:23nCOCCCCCCCCCOCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;s9;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.13872
Area:	503.699
Solvation:	-4.45375
Coulombic:	-37.3837

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	311.375
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.11
LogP (Chemaxon):	3.23

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