N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide

C15H16N2O3 — CID 565940

IUPACN'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C15H16N2O3/c1-10-5-6-13(11(2)8-10)17-15(19)14(18)16-9-12-4-3-7-20-12/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPPYQQNVPZJPLNA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.15
Rot. Bonds3

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

N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide (PubChem CID 565940) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide
PubChem CID565940
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C15H16N2O3/c1-10-5-6-13(11(2)8-10)17-15(19)14(18)16-9-12-4-3-7-20-12/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPPYQQNVPZJPLNA-UHFFFAOYSA-N
XLogP2.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.15
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'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide (CID 565940) is N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide?
The InChIKey is PPYQQNVPZJPLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-5-6-13(11(2)8-10)17-15(19)14(18)16-9-12-4-3-7-20-12/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide?
N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide has a molecular weight of 272.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 565940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).