2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese

C17H20MnN2O4 — CID 67560329

IUPAC2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese
SMILESCOc1cccc(CNCCNC(=O)c2ccccc2O)c1O.[Mn]
InChIInChI=1S/C17H20N2O4.Mn/c1-23-15-8-4-5-12(16(15)21)11-18-9-10-19-17(22)13-6-2-3-7-14(13)20;/h2-8,18,20-21H,9-11H2,1H3,(H,19,22);
InChIKeyBTRUWGFTCPLISP-UHFFFAOYSA-N
MW371.30 g/mol
LogP1.62
Rot. Bonds7

About 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese

2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese (PubChem CID 67560329) has the molecular formula C17H20MnN2O4 and a molecular weight of 371.30 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese.

Molecular Properties

Compound Name2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese
PubChem CID67560329
Molecular FormulaC17H20MnN2O4
Molecular Weight371.30 g/mol
Exact Mass371.08
IUPAC Name2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese
SMILESCOc1cccc(CNCCNC(=O)c2ccccc2O)c1O.[Mn]
InChIInChI=1S/C17H20N2O4.Mn/c1-23-15-8-4-5-12(16(15)21)11-18-9-10-19-17(22)13-6-2-3-7-14(13)20;/h2-8,18,20-21H,9-11H2,1H3,(H,19,22);
InChIKeyBTRUWGFTCPLISP-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-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-hydroxy-N-[2-[(2-hydroxy-4-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67559134
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-methoxy-6-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632548
3-[(2-hydroxy-3-methoxyphenyl)methylamino]propanenitrile
CID 28728331
2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese?
The IUPAC name of 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese (CID 67560329) is 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese.
What is the SMILES notation for 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese?
The canonical SMILES for 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese is COc1cccc(CNCCNC(=O)c2ccccc2O)c1O.[Mn].
What is the InChIKey of 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese?
The InChIKey is BTRUWGFTCPLISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4.Mn/c1-23-15-8-4-5-12(16(15)21)11-18-9-10-19-17(22)13-6-2-3-7-14(13)20;/h2-8,18,20-21H,9-11H2,1H3,(H,19,22);.
What are the key properties of 2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese?
2-hydroxy-N-[2-[(2-hydroxy-3-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-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese is sourced from PubChem (CID 67560329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).