N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide

C17H20N2O4 — CID 74239995

IUPACN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCCN(CC(O)c1cccc(O)c1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C17H20N2O4/c1-2-18(11-15(21)13-6-5-7-14(20)10-13)17(23)12-19-9-4-3-8-16(19)22/h3-10,15,20-21H,2,11-12H2,1H3
InChIKeyFBNISJFOQIHCHT-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.14
Rot. Bonds6

About N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide

N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 74239995) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID74239995
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCCN(CC(O)c1cccc(O)c1)C(=O)Cn1ccccc1=O
InChIInChI=1S/C17H20N2O4/c1-2-18(11-15(21)13-6-5-7-14(20)10-13)17(23)12-19-9-4-3-8-16(19)22/h3-10,15,20-21H,2,11-12H2,1H3
InChIKeyFBNISJFOQIHCHT-UHFFFAOYSA-N
XLogP1.14
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 74239995) is N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide is CCN(CC(O)c1cccc(O)c1)C(=O)Cn1ccccc1=O.
What is the InChIKey of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is FBNISJFOQIHCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-18(11-15(21)13-6-5-7-14(20)10-13)17(23)12-19-9-4-3-8-16(19)22/h3-10,15,20-21H,2,11-12H2,1H3.
What are the key properties of N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 74239995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).