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

C22H25NO6 — CID 39377935

IUPAC2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O
InChIInChI=1S/C22H25NO6/c1-22(2)12-17(25)21-16(24)10-15(11-19(21)29-22)28-13-20(26)23-9-8-14-6-4-5-7-18(14)27-3/h4-7,10-11,24H,8-9,12-13H2,1-3H3,(H,23,26)
InChIKeyAKTOHIYULWGHCW-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.88
Rot. Bonds7

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

2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 39377935) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID39377935
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O
InChIInChI=1S/C22H25NO6/c1-22(2)12-17(25)21-16(24)10-15(11-19(21)29-22)28-13-20(26)23-9-8-14-6-4-5-7-18(14)27-3/h4-7,10-11,24H,8-9,12-13H2,1-3H3,(H,23,26)
InChIKeyAKTOHIYULWGHCW-UHFFFAOYSA-N
XLogP2.88
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26181291
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181147
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
N-[2-(2-methoxyphenyl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977943
N-[2-(2-methoxyphenyl)ethyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993472
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113199035
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 39377935) is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is AKTOHIYULWGHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-22(2)12-17(25)21-16(24)10-15(11-19(21)29-22)28-13-20(26)23-9-8-14-6-4-5-7-18(14)27-3/h4-7,10-11,24H,8-9,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 399.44 g/mol, XLogP of 2.88, 7 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-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 39377935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).