N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten

C14H22NO2W- — CID 59694940

IUPACN-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten
SMILESCC(=O)N(C)CC(O)c1ccccc1.C[CH-]C.[W]
InChIInChI=1S/C11H15NO2.C3H7.W/c1-9(13)12(2)8-11(14)10-6-4-3-5-7-10;1-3-2;/h3-7,11,14H,8H2,1-2H3;3H,1-2H3;/q;-1;
InChIKeyYMNSBUZQEDCRPC-UHFFFAOYSA-N
MW420.18 g/mol
LogP2.43
Rot. Bonds3

About N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten

N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten (PubChem CID 59694940) has the molecular formula C14H22NO2W- and a molecular weight of 420.18 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten
PubChem CID59694940
Molecular FormulaC14H22NO2W-
Molecular Weight420.18 g/mol
Exact Mass420.12
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten
SMILESCC(=O)N(C)CC(O)c1ccccc1.C[CH-]C.[W]
InChIInChI=1S/C11H15NO2.C3H7.W/c1-9(13)12(2)8-11(14)10-6-4-3-5-7-10;1-3-2;/h3-7,11,14H,8H2,1-2H3;3H,1-2H3;/q;-1;
InChIKeyYMNSBUZQEDCRPC-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten (CID 59694940) is N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten is CC(=O)N(C)CC(O)c1ccccc1.C[CH-]C.[W].
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten?
The InChIKey is YMNSBUZQEDCRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C3H7.W/c1-9(13)12(2)8-11(14)10-6-4-3-5-7-10;1-3-2;/h3-7,11,14H,8H2,1-2H3;3H,1-2H3;/q;-1;.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten?
N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten has a molecular weight of 420.18 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N-methylacetamide;propane;tungsten is sourced from PubChem (CID 59694940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).