N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

C14H14N2O6 — CID 7473626

IUPACN-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O6/c1-20-10-4-5-13(12(7-10)16(18)19)22-9-14(17)15-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyPLFVLHUANJZYSJ-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.89
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 7473626) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID7473626
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O6/c1-20-10-4-5-13(12(7-10)16(18)19)22-9-14(17)15-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyPLFVLHUANJZYSJ-UHFFFAOYSA-N
XLogP1.89
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338576
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
N-(furan-2-ylmethyl)-2-(7-methoxyquinolin-4-yl)oxyacetamide
CID 56795574
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2563855
N,N'-bis(furan-2-ylmethyl)-2-[(4-methoxy-2-nitroanilino)methylidene]propanediamide
CID 21236248
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methoxy-3-nitrobenzoate
CID 7381956

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 7473626) is N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is COc1ccc(OCC(=O)NCc2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is PLFVLHUANJZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c1-20-10-4-5-13(12(7-10)16(18)19)22-9-14(17)15-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 306.27 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7473626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).