N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide

C16H18N2O6 — CID 19461349

IUPACN-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1
InChIInChI=1S/C16H18N2O6/c1-11-3-5-14(13(9-11)18(20)21)23-10-12-4-6-15(24-12)16(19)17-7-8-22-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,19)
InChIKeyVJNYUPPXBCAHLI-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.45
Rot. Bonds8

About N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide

N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19461349) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19461349
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC NameN-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1
InChIInChI=1S/C16H18N2O6/c1-11-3-5-14(13(9-11)18(20)21)23-10-12-4-6-15(24-12)16(19)17-7-8-22-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,19)
InChIKeyVJNYUPPXBCAHLI-UHFFFAOYSA-N
XLogP2.45
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461206
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574729
N-(furan-2-ylmethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461282
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19461255
5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 580014
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292533
N-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19461245
N-[(1-ethylpyrazol-3-yl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19331052
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393403
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462971
ethyl (2R)-2-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate
CID 19461268

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (CID 19461349) is N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is COCCNC(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is VJNYUPPXBCAHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-11-3-5-14(13(9-11)18(20)21)23-10-12-4-6-15(24-12)16(19)17-7-8-22-2/h3-6,9H,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19461349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).