N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide

C15H20N2O3 — CID 3136544

IUPACN'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCCO2)cc1C
InChIInChI=1S/C15H20N2O3/c1-10-5-6-12(8-11(10)2)17-15(19)14(18)16-9-13-4-3-7-20-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYHNZOFJSWGMHLE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds3

About N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide

N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 3136544) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID3136544
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCCO2)cc1C
InChIInChI=1S/C15H20N2O3/c1-10-5-6-12(8-11(10)2)17-15(19)14(18)16-9-13-4-3-7-20-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYHNZOFJSWGMHLE-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'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide (CID 3136544) is N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC2CCCO2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is YHNZOFJSWGMHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-6-12(8-11(10)2)17-15(19)14(18)16-9-13-4-3-7-20-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(3,4-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'-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3136544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).