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

C21H22N2O6 — CID 8016224

IUPACN-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1
InChIInChI=1S/C21H22N2O6/c1-12(24)22-13-4-6-14(7-5-13)23-19(27)11-28-15-8-16(25)20-17(26)10-21(2,3)29-18(20)9-15/h4-9,25H,10-11H2,1-3H3,(H,22,24)(H,23,27)
InChIKeyUEHSUUVWQIHXEP-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.11
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide (PubChem CID 8016224) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
PubChem CID8016224
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC NameN-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1
InChIInChI=1S/C21H22N2O6/c1-12(24)22-13-4-6-14(7-5-13)23-19(27)11-28-15-8-16(25)20-17(26)10-21(2,3)29-18(20)9-15/h4-9,25H,10-11H2,1-3H3,(H,22,24)(H,23,27)
InChIKeyUEHSUUVWQIHXEP-UHFFFAOYSA-N
XLogP3.11
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide (CID 8016224) is N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide is CC(=O)Nc1ccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide?
The InChIKey is UEHSUUVWQIHXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-12(24)22-13-4-6-14(7-5-13)23-19(27)11-28-15-8-16(25)20-17(26)10-21(2,3)29-18(20)9-15/h4-9,25H,10-11H2,1-3H3,(H,22,24)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide?
N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide has a molecular weight of 398.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide is sourced from PubChem (CID 8016224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).