N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide

C14H14N2O3 — CID 6869275

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1ccco1
InChIInChI=1S/C14H14N2O3/c1-11-5-2-3-7-13(11)19-10-14(17)16-15-9-12-6-4-8-18-12/h2-9H,10H2,1H3,(H,16,17)/b15-9+
InChIKeyKUMLBKAEXFYGRV-OQLLNIDSSA-N
MW258.28 g/mol
LogP2.12
Rot. Bonds5

About N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide

N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 6869275) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID6869275
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C/c1ccco1
InChIInChI=1S/C14H14N2O3/c1-11-5-2-3-7-13(11)19-10-14(17)16-15-9-12-6-4-8-18-12/h2-9H,10H2,1H3,(H,16,17)/b15-9+
InChIKeyKUMLBKAEXFYGRV-OQLLNIDSSA-N
XLogP2.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 6869164
CID 6869164
CID 7290584
CID 7290584
CID 6893383
CID 6893383
CID 5405057
CID 5405057
CID 6870919
CID 6870919
CID 6878929
CID 6878929
CID 6880344
CID 6880344
CID 6883314
CID 6883314
CID 6888502
CID 6888502
CID 6889021
CID 6889021
CID 9566638
CID 9566638
CID 9613794
CID 9613794

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide (CID 6869275) is N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N/N=C/c1ccco1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is KUMLBKAEXFYGRV-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-11-5-2-3-7-13(11)19-10-14(17)16-15-9-12-6-4-8-18-12/h2-9H,10H2,1H3,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 258.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 6869275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).