2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide

C14H13N3O5 — CID 6878016

IUPAC2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H13N3O5/c1-10-4-2-3-5-12(10)21-9-13(18)16-15-8-11-6-7-14(22-11)17(19)20/h2-8H,9H2,1H3,(H,16,18)/b15-8+
InChIKeyURWMJADWIKJDIQ-OVCLIPMQSA-N
MW303.27 g/mol
LogP2.03
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide

2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide (PubChem CID 6878016) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
PubChem CID6878016
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H13N3O5/c1-10-4-2-3-5-12(10)21-9-13(18)16-15-8-11-6-7-14(22-11)17(19)20/h2-8H,9H2,1H3,(H,16,18)/b15-8+
InChIKeyURWMJADWIKJDIQ-OVCLIPMQSA-N
XLogP2.03
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 5337997
CID 5337997
CID 13764
CID 13764
CID 5334509
CID 5334509
CID 6867648
CID 6867648
CID 6876580
CID 6876580
CID 9663344
CID 9663344
CID 25237242
CID 25237242
CID 6322955
CID 6322955
CID 6871954
CID 6871954
CID 9648004
CID 9648004
CID 5390108
CID 5390108
CID 5331853
CID 5331853

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide (CID 6878016) is 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is Cc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
The InChIKey is URWMJADWIKJDIQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-10-4-2-3-5-12(10)21-9-13(18)16-15-8-11-6-7-14(22-11)17(19)20/h2-8H,9H2,1H3,(H,16,18)/b15-8+.
What are the key properties of 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide?
2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide has a molecular weight of 303.27 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6878016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).