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

C21H23NO6 — CID 8015915

IUPAC2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide
SMILESCC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(CCO)cc3)cc2O1
InChIInChI=1S/C21H23NO6/c1-21(2)11-17(25)20-16(24)9-15(10-18(20)28-21)27-12-19(26)22-14-5-3-13(4-6-14)7-8-23/h3-6,9-10,23-24H,7-8,11-12H2,1-2H3,(H,22,26)
InChIKeyUITSZVKIKIGCDP-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.69
Rot. Bonds6

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

2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide (PubChem CID 8015915) 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-[4-(2-hydroxyethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide
PubChem CID8015915
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-[4-(2-hydroxyethyl)phenyl]acetamide
SMILESCC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(CCO)cc3)cc2O1
InChIInChI=1S/C21H23NO6/c1-21(2)11-17(25)20-16(24)9-15(10-18(20)28-21)27-12-19(26)22-14-5-3-13(4-6-14)7-8-23/h3-6,9-10,23-24H,7-8,11-12H2,1-2H3,(H,22,26)
InChIKeyUITSZVKIKIGCDP-UHFFFAOYSA-N
XLogP2.69
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10004878
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CID 10320108
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CID 10428676
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CID 118060425
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CID 118060721
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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-[4-(2-hydroxyethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide (CID 8015915) is 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide is CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(CCO)cc3)cc2O1.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide?
The InChIKey is UITSZVKIKIGCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-21(2)11-17(25)20-16(24)9-15(10-18(20)28-21)27-12-19(26)22-14-5-3-13(4-6-14)7-8-23/h3-6,9-10,23-24H,7-8,11-12H2,1-2H3,(H,22,26).
What are the key properties of 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide?
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[4-(2-hydroxyethyl)phenyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 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-[4-(2-hydroxyethyl)phenyl]acetamide is sourced from PubChem (CID 8015915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).