N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide

C22H15NO5 — CID 16765963

IUPACN-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide
SMILESCC(=O)Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H15NO5/c1-12(24)23-20-17(28-13-7-3-2-4-8-13)11-16(25)18-19(20)22(27)15-10-6-5-9-14(15)21(18)26/h2-11,25H,1H3,(H,23,24)
InChIKeyKOKAQZDQEVMNSG-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.92
Rot. Bonds3

About N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide

N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide (PubChem CID 16765963) has the molecular formula C22H15NO5 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide
PubChem CID16765963
Molecular FormulaC22H15NO5
Molecular Weight373.36 g/mol
Exact Mass373.10
IUPAC NameN-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide
SMILESCC(=O)Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H15NO5/c1-12(24)23-20-17(28-13-7-3-2-4-8-13)11-16(25)18-19(20)22(27)15-10-6-5-9-14(15)21(18)26/h2-11,25H,1H3,(H,23,24)
InChIKeyKOKAQZDQEVMNSG-UHFFFAOYSA-N
XLogP3.92
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide?
The IUPAC name of N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide (CID 16765963) is N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide is CC(=O)Nc1c(Oc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide?
The InChIKey is KOKAQZDQEVMNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO5/c1-12(24)23-20-17(28-13-7-3-2-4-8-13)11-16(25)18-19(20)22(27)15-10-6-5-9-14(15)21(18)26/h2-11,25H,1H3,(H,23,24).
What are the key properties of N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide?
N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide has a molecular weight of 373.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-9,10-dioxo-2-phenoxyanthracen-1-yl)acetamide is sourced from PubChem (CID 16765963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).