N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide

C18H15NO3 — CID 89260917

IUPACN-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide
SMILESO=CC(CO)NC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H15NO3/c20-10-14(11-21)19-18(22)17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-10,14,21H,11H2,(H,19,22)
InChIKeyQEQOEOKCMCZPBT-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.28
Rot. Bonds4

About N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide

N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide (PubChem CID 89260917) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide
PubChem CID89260917
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide
SMILESO=CC(CO)NC(=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H15NO3/c20-10-14(11-21)19-18(22)17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-10,14,21H,11H2,(H,19,22)
InChIKeyQEQOEOKCMCZPBT-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide?
The IUPAC name of N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide (CID 89260917) is N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide is O=CC(CO)NC(=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide?
The InChIKey is QEQOEOKCMCZPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-10-14(11-21)19-18(22)17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-10,14,21H,11H2,(H,19,22).
What are the key properties of N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide?
N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-oxopropan-2-yl)anthracene-9-carboxamide is sourced from PubChem (CID 89260917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).