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

C15H20N2O3 — CID 551498

IUPACN'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C15H20N2O3/c18-14(15(19)17-11-13-7-4-10-20-13)16-9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,17,19)
InChIKeyORULBBMHOUUFSI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.64
Rot. Bonds5

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

N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide (PubChem CID 551498) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide
PubChem CID551498
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C15H20N2O3/c18-14(15(19)17-11-13-7-4-10-20-13)16-9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,17,19)
InChIKeyORULBBMHOUUFSI-UHFFFAOYSA-N
XLogP0.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.64
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-(2-phenylethyl)oxamide?
The IUPAC name of N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide (CID 551498) is N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide?
The InChIKey is ORULBBMHOUUFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(15(19)17-11-13-7-4-10-20-13)16-9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,17,19).
What are the key properties of N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide?
N'-(oxolan-2-ylmethyl)-N-(2-phenylethyl)oxamide has a molecular weight of 276.34 g/mol, XLogP of 0.64, 5 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-(2-phenylethyl)oxamide is sourced from PubChem (CID 551498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).