N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide

C15H20N2O3 — CID 2883220

IUPACN'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C15H20N2O3/c1-10-5-3-6-11(2)13(10)17-15(19)14(18)16-9-12-7-4-8-20-12/h3,5-6,12H,4,7-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLTZHNZGDEOMOIH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds3

About N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide

N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 2883220) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID2883220
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C15H20N2O3/c1-10-5-3-6-11(2)13(10)17-15(19)14(18)16-9-12-7-4-8-20-12/h3,5-6,12H,4,7-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLTZHNZGDEOMOIH-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
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'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide (CID 2883220) is N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is LTZHNZGDEOMOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-3-6-11(2)13(10)17-15(19)14(18)16-9-12-7-4-8-20-12/h3,5-6,12H,4,7-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 276.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 2883220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).