5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide

C21H20N2O6 — CID 19452686

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C21H20N2O6/c1-13-4-5-14(2)19(10-13)28-12-16-7-9-18(29-16)21(24)22-17-8-6-15(23(25)26)11-20(17)27-3/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyAYKMFMZEMDWIIN-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.64
Rot. Bonds7

About 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide (PubChem CID 19452686) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
PubChem CID19452686
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C21H20N2O6/c1-13-4-5-14(2)19(10-13)28-12-16-7-9-18(29-16)21(24)22-17-8-6-15(23(25)26)11-20(17)27-3/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyAYKMFMZEMDWIIN-UHFFFAOYSA-N
XLogP4.64
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.64
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 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-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

Related Compounds

5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19417299
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19447050
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19459275
N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456660
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19580036
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19459513
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19463522
2-(2,5-dimethylphenoxy)-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]acetamide
CID 19188033
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451270
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19457438

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide (CID 19452686) is 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2cc(C)ccc2C)o1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is AYKMFMZEMDWIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-13-4-5-14(2)19(10-13)28-12-16-7-9-18(29-16)21(24)22-17-8-6-15(23(25)26)11-20(17)27-3/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19452686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).