N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide

C15H20N2O3 — CID 2883263

IUPACN-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)17-15(19)14(18)16-10-13-8-5-9-20-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyOAHMFRBSTLXJCN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.16
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide

N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide (PubChem CID 2883263) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
PubChem CID2883263
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)17-15(19)14(18)16-10-13-8-5-9-20-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyOAHMFRBSTLXJCN-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide (CID 2883263) is N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide?
The InChIKey is OAHMFRBSTLXJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)17-15(19)14(18)16-10-13-8-5-9-20-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide?
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide has a molecular weight of 276.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 2883263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).