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

C18H17NO4 — CID 2925020

IUPACN-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c1-22-14-9-7-13(8-10-14)19-18(21)15-11-16(20)23-17(15)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,19,21)
InChIKeyLFBBZSPSVRDEOF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.94
Rot. Bonds4

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

N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide (PubChem CID 2925020) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
PubChem CID2925020
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c1-22-14-9-7-13(8-10-14)19-18(21)15-11-16(20)23-17(15)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,19,21)
InChIKeyLFBBZSPSVRDEOF-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide (CID 2925020) is N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The InChIKey is LFBBZSPSVRDEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-14-9-7-13(8-10-14)19-18(21)15-11-16(20)23-17(15)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide is sourced from PubChem (CID 2925020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).