N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide

C18H16N2O3 — CID 6894087

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)o1
InChIInChI=1S/C18H16N2O3/c1-13-6-8-17(23-13)11-19-20-18(21)12-22-16-9-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,20,21)/b19-11+
InChIKeyRPBHGVFPWXVBFD-YBFXNURJSA-N
MW308.34 g/mol
LogP3.27
Rot. Bonds5

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 6894087) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID6894087
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)o1
InChIInChI=1S/C18H16N2O3/c1-13-6-8-17(23-13)11-19-20-18(21)12-22-16-9-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,20,21)/b19-11+
InChIKeyRPBHGVFPWXVBFD-YBFXNURJSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 6894087) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide is Cc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is RPBHGVFPWXVBFD-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-13-6-8-17(23-13)11-19-20-18(21)12-22-16-9-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 308.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 6894087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).