[acetyloxy(anthracen-1-yl)amino] acetate

C18H15NO4 — CID 23330831

IUPAC[acetyloxy(anthracen-1-yl)amino] acetate
SMILESCC(=O)ON(OC(C)=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C18H15NO4/c1-12(20)22-19(23-13(2)21)18-9-5-8-16-10-14-6-3-4-7-15(14)11-17(16)18/h3-11H,1-2H3
InChIKeyGLGNCIXRNOAZNS-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.76
Rot. Bonds3

About [acetyloxy(anthracen-1-yl)amino] acetate

[acetyloxy(anthracen-1-yl)amino] acetate (PubChem CID 23330831) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is [acetyloxy(anthracen-1-yl)amino] acetate.

Molecular Properties

Compound Name[acetyloxy(anthracen-1-yl)amino] acetate
PubChem CID23330831
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name[acetyloxy(anthracen-1-yl)amino] acetate
SMILESCC(=O)ON(OC(C)=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C18H15NO4/c1-12(20)22-19(23-13(2)21)18-9-5-8-16-10-14-6-3-4-7-15(14)11-17(16)18/h3-11H,1-2H3
InChIKeyGLGNCIXRNOAZNS-UHFFFAOYSA-N
XLogP3.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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 [acetyloxy(anthracen-1-yl)amino] acetate?
The IUPAC name of [acetyloxy(anthracen-1-yl)amino] acetate (CID 23330831) is [acetyloxy(anthracen-1-yl)amino] acetate.
What is the SMILES notation for [acetyloxy(anthracen-1-yl)amino] acetate?
The canonical SMILES for [acetyloxy(anthracen-1-yl)amino] acetate is CC(=O)ON(OC(C)=O)c1cccc2cc3ccccc3cc12.
What is the InChIKey of [acetyloxy(anthracen-1-yl)amino] acetate?
The InChIKey is GLGNCIXRNOAZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-12(20)22-19(23-13(2)21)18-9-5-8-16-10-14-6-3-4-7-15(14)11-17(16)18/h3-11H,1-2H3.
What are the key properties of [acetyloxy(anthracen-1-yl)amino] acetate?
[acetyloxy(anthracen-1-yl)amino] acetate has a molecular weight of 309.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(anthracen-1-yl)amino] acetate is sourced from PubChem (CID 23330831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).