[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate

C15H14N2O7 — CID 2428699

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H14N2O7/c1-22-11-5-3-2-4-10(11)8-16-13(18)9-23-15(19)12-6-7-14(24-12)17(20)21/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyUBMVUXUDXAPYCI-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.67
Rot. Bonds7

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate (PubChem CID 2428699) has the molecular formula C15H14N2O7 and a molecular weight of 334.28 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
PubChem CID2428699
Molecular FormulaC15H14N2O7
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H14N2O7/c1-22-11-5-3-2-4-10(11)8-16-13(18)9-23-15(19)12-6-7-14(24-12)17(20)21/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyUBMVUXUDXAPYCI-UHFFFAOYSA-N
XLogP1.67
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-6-nitrobenzoate
CID 33347261
[2-oxo-2-(prop-2-enylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 2689889
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-nitrofuran-2-carboxamide
CID 96567467
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992392
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
phenacyl 5-nitrofuran-2-carboxylate
CID 804298
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-nitrofuran-2-carboxylate
CID 9454982
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2584348
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate (CID 2428699) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The InChIKey is UBMVUXUDXAPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7/c1-22-11-5-3-2-4-10(11)8-16-13(18)9-23-15(19)12-6-7-14(24-12)17(20)21/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate has a molecular weight of 334.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate is sourced from PubChem (CID 2428699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).