2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese

C17H20MnN2O4 — CID 67559134

IUPAC2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese
SMILESCOc1ccc(CNCCNC(=O)c2ccccc2O)c(O)c1.[Mn]
InChIInChI=1S/C17H20N2O4.Mn/c1-23-13-7-6-12(16(21)10-13)11-18-8-9-19-17(22)14-4-2-3-5-15(14)20;/h2-7,10,18,20-21H,8-9,11H2,1H3,(H,19,22);
InChIKeyUITOZHJAWWAFJF-UHFFFAOYSA-N
MW371.30 g/mol
LogP1.62
Rot. Bonds7

About 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese

2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese (PubChem CID 67559134) has the molecular formula C17H20MnN2O4 and a molecular weight of 371.30 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese.

Molecular Properties

Compound Name2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese
PubChem CID67559134
Molecular FormulaC17H20MnN2O4
Molecular Weight371.30 g/mol
Exact Mass371.08
IUPAC Name2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese
SMILESCOc1ccc(CNCCNC(=O)c2ccccc2O)c(O)c1.[Mn]
InChIInChI=1S/C17H20N2O4.Mn/c1-23-13-7-6-12(16(21)10-13)11-18-8-9-19-17(22)14-4-2-3-5-15(14)20;/h2-7,10,18,20-21H,8-9,11H2,1H3,(H,19,22);
InChIKeyUITOZHJAWWAFJF-UHFFFAOYSA-N
XLogP1.62
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67560329
N-[2-[[4-(diethylamino)-2-hydroxyphenyl]methylamino]ethyl]-2-hydroxybenzamide
CID 67559542
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese?
The IUPAC name of 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese (CID 67559134) is 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese.
What is the SMILES notation for 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese?
The canonical SMILES for 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese is COc1ccc(CNCCNC(=O)c2ccccc2O)c(O)c1.[Mn].
What is the InChIKey of 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese?
The InChIKey is UITOZHJAWWAFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4.Mn/c1-23-13-7-6-12(16(21)10-13)11-18-8-9-19-17(22)14-4-2-3-5-15(14)20;/h2-7,10,18,20-21H,8-9,11H2,1H3,(H,19,22);.
What are the key properties of 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese?
2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese has a molecular weight of 371.30 g/mol, XLogP of 1.62, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese is sourced from PubChem (CID 67559134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).