N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide

C19H19NO4 — CID 2948308

IUPACN-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-2-23-15-10-8-14(9-11-15)20-19(22)16-12-17(21)24-18(16)13-6-4-3-5-7-13/h3-11,16,18H,2,12H2,1H3,(H,20,22)
InChIKeyFJKXPULBWLSQEY-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.33
Rot. Bonds5

About N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide

N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide (PubChem CID 2948308) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
PubChem CID2948308
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-2-23-15-10-8-14(9-11-15)20-19(22)16-12-17(21)24-18(16)13-6-4-3-5-7-13/h3-11,16,18H,2,12H2,1H3,(H,20,22)
InChIKeyFJKXPULBWLSQEY-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide (CID 2948308) is N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide is CCOc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The InChIKey is FJKXPULBWLSQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-23-15-10-8-14(9-11-15)20-19(22)16-12-17(21)24-18(16)13-6-4-3-5-7-13/h3-11,16,18H,2,12H2,1H3,(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide is sourced from PubChem (CID 2948308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).