2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide

C19H22N2O5 — CID 122169990

IUPAC2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCn3cccc3)cc2O1
InChIInChI=1S/C19H22N2O5/c1-19(2)11-15(23)18-14(22)9-13(10-16(18)26-19)25-12-17(24)20-5-8-21-6-3-4-7-21/h3-4,6-7,9-10,22H,5,8,11-12H2,1-2H3,(H,20,24)
InChIKeyPULBQKHQPHZRIW-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.13
Rot. Bonds6

About 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide

2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 122169990) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID122169990
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCn3cccc3)cc2O1
InChIInChI=1S/C19H22N2O5/c1-19(2)11-15(23)18-14(22)9-13(10-16(18)26-19)25-12-17(24)20-5-8-21-6-3-4-7-21/h3-4,6-7,9-10,22H,5,8,11-12H2,1-2H3,(H,20,24)
InChIKeyPULBQKHQPHZRIW-UHFFFAOYSA-N
XLogP2.13
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide (CID 122169990) is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide is CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCn3cccc3)cc2O1.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is PULBQKHQPHZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-19(2)11-15(23)18-14(22)9-13(10-16(18)26-19)25-12-17(24)20-5-8-21-6-3-4-7-21/h3-4,6-7,9-10,22H,5,8,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide?
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 122169990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).