N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide

C20H22N2O3 — CID 4916602

IUPACN-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C20H22N2O3/c23-19(21-13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)22-20(24)18-11-6-14-25-18/h1-5,7-10,18H,6,11-14H2,(H,21,23)(H,22,24)
InChIKeyHYYXNIFDETUMBX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 4916602) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID4916602
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C20H22N2O3/c23-19(21-13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)22-20(24)18-11-6-14-25-18/h1-5,7-10,18H,6,11-14H2,(H,21,23)(H,22,24)
InChIKeyHYYXNIFDETUMBX-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 4916602) is N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide is O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCO1.
What is the InChIKey of N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is HYYXNIFDETUMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(21-13-12-15-7-2-1-3-8-15)16-9-4-5-10-17(16)22-20(24)18-11-6-14-25-18/h1-5,7-10,18H,6,11-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 4916602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).