N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide

C17H19N3O5 — CID 60533512

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCC1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC(C)O1
InChIInChI=1S/C17H19N3O5/c1-11-9-19(10-12(2)24-11)14-6-4-3-5-13(14)18-17(21)15-7-8-16(25-15)20(22)23/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)
InChIKeyVBRXABXYDNIKKL-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 60533512) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID60533512
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide
SMILESCC1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC(C)O1
InChIInChI=1S/C17H19N3O5/c1-11-9-19(10-12(2)24-11)14-6-4-3-5-13(14)18-17(21)15-7-8-16(25-15)20(22)23/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)
InChIKeyVBRXABXYDNIKKL-UHFFFAOYSA-N
XLogP3.05
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.05
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-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-5-nitrofuran-2-carboxamide
CID 94084965
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-hydroxy-2-nitrobenzamide
CID 124882872
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 97024246
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
methyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate
CID 770812
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
N-[2-(1-chloroethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 114304944
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1294332
5-nitro-N-(2-sulfamoylphenyl)furan-2-carboxamide
CID 61128250
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide (CID 60533512) is N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide is CC1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is VBRXABXYDNIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-11-9-19(10-12(2)24-11)14-6-4-3-5-13(14)18-17(21)15-7-8-16(25-15)20(22)23/h3-8,11-12H,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 60533512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).