N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide

C16H18N2O5 — CID 108517692

IUPACN'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O5/c1-21-12-4-6-13(7-5-12)23-10-8-17-15(19)16(20)18-11-14-3-2-9-22-14/h2-7,9H,8,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyHMEVUMBSUHZEEA-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.10
Rot. Bonds7

About N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide

N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (PubChem CID 108517692) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
PubChem CID108517692
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O5/c1-21-12-4-6-13(7-5-12)23-10-8-17-15(19)16(20)18-11-14-3-2-9-22-14/h2-7,9H,8,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyHMEVUMBSUHZEEA-UHFFFAOYSA-N
XLogP1.10
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
2-cyano-N-(furan-2-ylmethyl)-3-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]prop-2-enamide
CID 4617800
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 9185408
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
4-butoxy-N-[3-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2908003
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (CID 108517692) is N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is COc1ccc(OCCNC(=O)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The InChIKey is HMEVUMBSUHZEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-21-12-4-6-13(7-5-12)23-10-8-17-15(19)16(20)18-11-14-3-2-9-22-14/h2-7,9H,8,10-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide has a molecular weight of 318.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is sourced from PubChem (CID 108517692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).