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

C21H23NO6 — CID 8016476

IUPAC2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)c1
InChIInChI=1S/C21H23NO6/c1-21(2)10-17(24)20-16(23)8-15(9-18(20)28-21)27-12-19(25)22-11-13-5-4-6-14(7-13)26-3/h4-9,23H,10-12H2,1-3H3,(H,22,25)
InChIKeyHVRIXSUEIHGMDA-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.84
Rot. Bonds6

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

2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 8016476) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID8016476
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)c1
InChIInChI=1S/C21H23NO6/c1-21(2)10-17(24)20-16(23)8-15(9-18(20)28-21)27-12-19(25)22-11-13-5-4-6-14(7-13)26-3/h4-9,23H,10-12H2,1-3H3,(H,22,25)
InChIKeyHVRIXSUEIHGMDA-UHFFFAOYSA-N
XLogP2.84
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.84
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-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide (CID 8016476) is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)c1.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is HVRIXSUEIHGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-21(2)10-17(24)20-16(23)8-15(9-18(20)28-21)27-12-19(25)22-11-13-5-4-6-14(7-13)26-3/h4-9,23H,10-12H2,1-3H3,(H,22,25).
What are the key properties of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.84, 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-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8016476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).