N-(1-phenylethyl)oxolane-2-carboxamide

C13H17NO2 — CID 2931490

IUPACN-(1-phenylethyl)oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-6-3-2-4-7-11)14-13(15)12-8-5-9-16-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,14,15)
InChIKeyIMKSUXZGXPOISN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.04
Rot. Bonds3

About N-(1-phenylethyl)oxolane-2-carboxamide

N-(1-phenylethyl)oxolane-2-carboxamide (PubChem CID 2931490) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(1-phenylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)oxolane-2-carboxamide
PubChem CID2931490
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(1-phenylethyl)oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-6-3-2-4-7-11)14-13(15)12-8-5-9-16-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,14,15)
InChIKeyIMKSUXZGXPOISN-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)oxolane-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)oxolane-2-carboxamide (CID 2931490) is N-(1-phenylethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)oxolane-2-carboxamide is CC(NC(=O)C1CCCO1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)oxolane-2-carboxamide?
The InChIKey is IMKSUXZGXPOISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-6-3-2-4-7-11)14-13(15)12-8-5-9-16-12/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,14,15).
What are the key properties of N-(1-phenylethyl)oxolane-2-carboxamide?
N-(1-phenylethyl)oxolane-2-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 2931490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).