N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide

C15H19NO3 — CID 25941

IUPACN,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide
SMILESCCN(CC)C(=O)C1(c2ccccc2)CCC(=O)O1
InChIInChI=1S/C15H19NO3/c1-3-16(4-2)14(18)15(11-10-13(17)19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyZVLBDLCCXMLUCX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.09
Rot. Bonds4

About N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide

N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide (PubChem CID 25941) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide
PubChem CID25941
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide
SMILESCCN(CC)C(=O)C1(c2ccccc2)CCC(=O)O1
InChIInChI=1S/C15H19NO3/c1-3-16(4-2)14(18)15(11-10-13(17)19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyZVLBDLCCXMLUCX-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide?
The IUPAC name of N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide (CID 25941) is N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide is CCN(CC)C(=O)C1(c2ccccc2)CCC(=O)O1.
What is the InChIKey of N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide?
The InChIKey is ZVLBDLCCXMLUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-16(4-2)14(18)15(11-10-13(17)19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide?
N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-oxo-2-phenyloxolane-2-carboxamide is sourced from PubChem (CID 25941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).