2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc

C22H32N2O4SZn — CID 174963081

IUPAC2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc
SMILESCCCCCCCC(Cc1ccc(O)c(OC)c1)C(N)=O.On1ccccc1=S.[Zn]
InChIInChI=1S/C17H27NO3.C5H5NOS.Zn/c1-3-4-5-6-7-8-14(17(18)20)11-13-9-10-15(19)16(12-13)21-2;7-6-4-2-1-3-5(6)8;/h9-10,12,14,19H,3-8,11H2,1-2H3,(H2,18,20);1-4,7H;
InChIKeyVXNHIXLVTOCLQO-UHFFFAOYSA-N
MW485.97 g/mol
LogP4.86
Rot. Bonds10

About 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc

2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc (PubChem CID 174963081) has the molecular formula C22H32N2O4SZn and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc
PubChem CID174963081
Molecular FormulaC22H32N2O4SZn
Molecular Weight485.97 g/mol
Exact Mass484.14
IUPAC Name2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc
SMILESCCCCCCCC(Cc1ccc(O)c(OC)c1)C(N)=O.On1ccccc1=S.[Zn]
InChIInChI=1S/C17H27NO3.C5H5NOS.Zn/c1-3-4-5-6-7-8-14(17(18)20)11-13-9-10-15(19)16(12-13)21-2;7-6-4-2-1-3-5(6)8;/h9-10,12,14,19H,3-8,11H2,1-2H3,(H2,18,20);1-4,7H;
InChIKeyVXNHIXLVTOCLQO-UHFFFAOYSA-N
XLogP4.86
TPSA97.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
CID 68625712
2,7-bis[(4-hydroxy-3-methoxyphenyl)methyl]octanedioic acid
CID 122512055
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
CID 11989921
3-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide
CID 123770580
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
benzyl 4-hydroxy-3-methoxynonanoate;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 129308074
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
CID 167592723

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc?
The IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc (CID 174963081) is 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc?
The canonical SMILES for 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc is CCCCCCCC(Cc1ccc(O)c(OC)c1)C(N)=O.On1ccccc1=S.[Zn].
What is the InChIKey of 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc?
The InChIKey is VXNHIXLVTOCLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.C5H5NOS.Zn/c1-3-4-5-6-7-8-14(17(18)20)11-13-9-10-15(19)16(12-13)21-2;7-6-4-2-1-3-5(6)8;/h9-10,12,14,19H,3-8,11H2,1-2H3,(H2,18,20);1-4,7H;.
What are the key properties of 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc?
2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc has a molecular weight of 485.97 g/mol, XLogP of 4.86, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;1-hydroxypyridine-2-thione;zinc is sourced from PubChem (CID 174963081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).