N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide

C11H15NO3 — CID 3042015

IUPACN-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@H](O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-8(13)12(2)7-11(15)9-4-3-5-10(14)6-9/h3-6,11,14-15H,7H2,1-2H3/t11-/m0/s1
InChIKeyOSJFSDYUAXAPLF-NSHDSACASA-N
MW209.25 g/mol
LogP0.90
Rot. Bonds3

About N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide

N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide (PubChem CID 3042015) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
PubChem CID3042015
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@H](O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-8(13)12(2)7-11(15)9-4-3-5-10(14)6-9/h3-6,11,14-15H,7H2,1-2H3/t11-/m0/s1
InChIKeyOSJFSDYUAXAPLF-NSHDSACASA-N
XLogP0.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide (CID 3042015) is N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide is CC(=O)N(C)C[C@H](O)c1cccc(O)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is OSJFSDYUAXAPLF-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)12(2)7-11(15)9-4-3-5-10(14)6-9/h3-6,11,14-15H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide?
N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 209.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 3042015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).