5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide

C26H22N2O8 — CID 19467582

IUPAC5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3ccc(COc4ccccc4OC)o3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C26H22N2O8/c1-32-19-7-9-20(10-8-19)35-22-14-17(13-18(15-22)28(30)31)27-26(29)25-12-11-21(36-25)16-34-24-6-4-3-5-23(24)33-2/h3-15H,16H2,1-2H3,(H,27,29)
InChIKeyMTDQCELZLGWPDU-UHFFFAOYSA-N
MW490.47 g/mol
LogP5.83
Rot. Bonds10

About 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide (PubChem CID 19467582) has the molecular formula C26H22N2O8 and a molecular weight of 490.47 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
PubChem CID19467582
Molecular FormulaC26H22N2O8
Molecular Weight490.47 g/mol
Exact Mass490.14
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3ccc(COc4ccccc4OC)o3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C26H22N2O8/c1-32-19-7-9-20(10-8-19)35-22-14-17(13-18(15-22)28(30)31)27-26(29)25-12-11-21(36-25)16-34-24-6-4-3-5-23(24)33-2/h3-15H,16H2,1-2H3,(H,27,29)
InChIKeyMTDQCELZLGWPDU-UHFFFAOYSA-N
XLogP5.83
TPSA122.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

5-[(2,4-difluorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19453214
5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446179
5-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19452444
N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412890
N-(3-methoxy-5-nitrophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455035
5-[(2,6-dimethylphenoxy)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446937
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461714
5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19465711
5-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19458705
5-[(4-ethylphenoxy)methyl]-N-(3-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 19446630
5-[(2-bromophenoxy)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19450327
5-[(3-chlorophenoxy)methyl]-N-[3-(4-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446177

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide (CID 19467582) is 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide is COc1ccc(Oc2cc(NC(=O)c3ccc(COc4ccccc4OC)o3)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide?
The InChIKey is MTDQCELZLGWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O8/c1-32-19-7-9-20(10-8-19)35-22-14-17(13-18(15-22)28(30)31)27-26(29)25-12-11-21(36-25)16-34-24-6-4-3-5-23(24)33-2/h3-15H,16H2,1-2H3,(H,27,29).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide has a molecular weight of 490.47 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide is sourced from PubChem (CID 19467582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).