N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide

C12H18N2O3 — CID 90536222

IUPACN'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCc1cc(C)oc1C
InChIInChI=1S/C12H18N2O3/c1-4-5-13-11(15)12(16)14-7-10-6-8(2)17-9(10)3/h6H,4-5,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyBQDKWROMZBQLTB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.04
Rot. Bonds4

About N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide

N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide (PubChem CID 90536222) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide
PubChem CID90536222
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCc1cc(C)oc1C
InChIInChI=1S/C12H18N2O3/c1-4-5-13-11(15)12(16)14-7-10-6-8(2)17-9(10)3/h6H,4-5,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyBQDKWROMZBQLTB-UHFFFAOYSA-N
XLogP1.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.04
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'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide?
The IUPAC name of N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide (CID 90536222) is N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide.
What is the SMILES notation for N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide?
The canonical SMILES for N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide is CCCNC(=O)C(=O)NCc1cc(C)oc1C.
What is the InChIKey of N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide?
The InChIKey is BQDKWROMZBQLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-5-13-11(15)12(16)14-7-10-6-8(2)17-9(10)3/h6H,4-5,7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide?
N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide has a molecular weight of 238.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethylfuran-3-yl)methyl]-N-propyloxamide is sourced from PubChem (CID 90536222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).