N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide

C11H17N3O4 — CID 112689839

IUPACN,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H17N3O4/c1-3-13(4-2)10(15)8-12-7-9-5-6-11(18-9)14(16)17/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeySMGLMNNVOOELKL-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.15
Rot. Bonds7

About N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide

N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide (PubChem CID 112689839) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide
PubChem CID112689839
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H17N3O4/c1-3-13(4-2)10(15)8-12-7-9-5-6-11(18-9)14(16)17/h5-6,12H,3-4,7-8H2,1-2H3
InChIKeySMGLMNNVOOELKL-UHFFFAOYSA-N
XLogP1.15
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl 2-[(5-nitrofuran-2-yl)methylamino]acetate
CID 60811614
2-[(5-nitrofuran-2-yl)methylamino]-1-piperidin-1-ylethanone
CID 112689835
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268
3-[ethyl-(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61006997
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 113258313
N-[(5-nitrofuran-2-yl)methyl]prop-2-en-1-amine
CID 43755376
ethyl 2-[ethyl-[(5-nitrofuran-2-yl)methyl]amino]acetate
CID 62027696
2-(benzylamino)-N,N-diethylacetamide
CID 10857021
2-ethyl-2-[(5-nitrofuran-2-yl)methylamino]propane-1,3-diol
CID 103880632
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(5-nitrofuran-2-yl)methanamine
CID 103275263

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide (CID 112689839) is N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide is CCN(CC)C(=O)CNCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide?
The InChIKey is SMGLMNNVOOELKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-13(4-2)10(15)8-12-7-9-5-6-11(18-9)14(16)17/h5-6,12H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide?
N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide has a molecular weight of 255.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-nitrofuran-2-yl)methylamino]acetamide is sourced from PubChem (CID 112689839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).