2-oxo-N-phenyl-5-propyloxolane-3-carboxamide

C14H17NO3 — CID 4523608

IUPAC2-oxo-N-phenyl-5-propyloxolane-3-carboxamide
SMILESCCCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C14H17NO3/c1-2-6-11-9-12(14(17)18-11)13(16)15-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,15,16)
InChIKeyCUTUPAFHGKKFBU-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.36
Rot. Bonds4

About 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide

2-oxo-N-phenyl-5-propyloxolane-3-carboxamide (PubChem CID 4523608) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-5-propyloxolane-3-carboxamide
PubChem CID4523608
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-oxo-N-phenyl-5-propyloxolane-3-carboxamide
SMILESCCCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C14H17NO3/c1-2-6-11-9-12(14(17)18-11)13(16)15-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,15,16)
InChIKeyCUTUPAFHGKKFBU-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide?
The IUPAC name of 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide (CID 4523608) is 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide.
What is the SMILES notation for 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide?
The canonical SMILES for 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide is CCCC1CC(C(=O)Nc2ccccc2)C(=O)O1.
What is the InChIKey of 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide?
The InChIKey is CUTUPAFHGKKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-6-11-9-12(14(17)18-11)13(16)15-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3,(H,15,16).
What are the key properties of 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide?
2-oxo-N-phenyl-5-propyloxolane-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-5-propyloxolane-3-carboxamide is sourced from PubChem (CID 4523608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).