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

C16H18N2O4 — CID 90536251

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCc1cc(C)oc1C
InChIInChI=1S/C16H18N2O4/c1-10-8-12(11(2)22-10)9-17-15(19)16(20)18-13-6-4-5-7-14(13)21-3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMVUTXHJECXTIRL-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.16
Rot. Bonds4

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

N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide (PubChem CID 90536251) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide
PubChem CID90536251
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCc1cc(C)oc1C
InChIInChI=1S/C16H18N2O4/c1-10-8-12(11(2)22-10)9-17-15(19)16(20)18-13-6-4-5-7-14(13)21-3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMVUTXHJECXTIRL-UHFFFAOYSA-N
XLogP2.16
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90536281
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531639
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 7541654
N'-(2-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2273905
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
CID 43316144
N'-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44998130
N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108501079
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide (CID 90536251) is N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCc1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide?
The InChIKey is MVUTXHJECXTIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-8-12(11(2)22-10)9-17-15(19)16(20)18-13-6-4-5-7-14(13)21-3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide has a molecular weight of 302.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 90536251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).