N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide

C25H19NO3 — CID 88949404

IUPACN-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide
SMILESO=C(NC1CCOC1=O)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H19NO3/c27-24(26-21-14-15-29-25(21)28)23-19-12-6-4-10-17(19)22(16-8-2-1-3-9-16)18-11-5-7-13-20(18)23/h1-13,21H,14-15H2,(H,26,27)
InChIKeyIWJJYJDPTVZLQX-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.71
Rot. Bonds3

About N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide

N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide (PubChem CID 88949404) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide
PubChem CID88949404
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC NameN-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide
SMILESO=C(NC1CCOC1=O)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H19NO3/c27-24(26-21-14-15-29-25(21)28)23-19-12-6-4-10-17(19)22(16-8-2-1-3-9-16)18-11-5-7-13-20(18)23/h1-13,21H,14-15H2,(H,26,27)
InChIKeyIWJJYJDPTVZLQX-UHFFFAOYSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide?
The IUPAC name of N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide (CID 88949404) is N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide is O=C(NC1CCOC1=O)c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide?
The InChIKey is IWJJYJDPTVZLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c27-24(26-21-14-15-29-25(21)28)23-19-12-6-4-10-17(19)22(16-8-2-1-3-9-16)18-11-5-7-13-20(18)23/h1-13,21H,14-15H2,(H,26,27).
What are the key properties of N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide?
N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)-10-phenylanthracene-9-carboxamide is sourced from PubChem (CID 88949404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).