(4-acetamidoanthracen-1-yl) acetate

C18H15NO3 — CID 175270298

IUPAC(4-acetamidoanthracen-1-yl) acetate
SMILESCC(=O)Nc1ccc(OC(C)=O)c2cc3ccccc3cc12
InChIInChI=1S/C18H15NO3/c1-11(20)19-17-7-8-18(22-12(2)21)16-10-14-6-4-3-5-13(14)9-15(16)17/h3-10H,1-2H3,(H,19,20)
InChIKeyOAHLUIMFMGWEIL-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.88
Rot. Bonds2

About (4-acetamidoanthracen-1-yl) acetate

(4-acetamidoanthracen-1-yl) acetate (PubChem CID 175270298) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (4-acetamidoanthracen-1-yl) acetate.

Molecular Properties

Compound Name(4-acetamidoanthracen-1-yl) acetate
PubChem CID175270298
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(4-acetamidoanthracen-1-yl) acetate
SMILESCC(=O)Nc1ccc(OC(C)=O)c2cc3ccccc3cc12
InChIInChI=1S/C18H15NO3/c1-11(20)19-17-7-8-18(22-12(2)21)16-10-14-6-4-3-5-13(14)9-15(16)17/h3-10H,1-2H3,(H,19,20)
InChIKeyOAHLUIMFMGWEIL-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetamidoanthracen-1-yl) acetate?
The IUPAC name of (4-acetamidoanthracen-1-yl) acetate (CID 175270298) is (4-acetamidoanthracen-1-yl) acetate.
What is the SMILES notation for (4-acetamidoanthracen-1-yl) acetate?
The canonical SMILES for (4-acetamidoanthracen-1-yl) acetate is CC(=O)Nc1ccc(OC(C)=O)c2cc3ccccc3cc12.
What is the InChIKey of (4-acetamidoanthracen-1-yl) acetate?
The InChIKey is OAHLUIMFMGWEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11(20)19-17-7-8-18(22-12(2)21)16-10-14-6-4-3-5-13(14)9-15(16)17/h3-10H,1-2H3,(H,19,20).
What are the key properties of (4-acetamidoanthracen-1-yl) acetate?
(4-acetamidoanthracen-1-yl) acetate has a molecular weight of 293.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidoanthracen-1-yl) acetate is sourced from PubChem (CID 175270298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).