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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).