N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide

C19H18N2O3 — CID 5334957

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
SMILESCc1ccc(/C=N/NC(=O)C(C)Oc2cccc3ccccc23)o1
InChIInChI=1S/C19H18N2O3/c1-13-10-11-16(23-13)12-20-21-19(22)14(2)24-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,14H,1-2H3,(H,21,22)/b20-12+
InChIKeyCSKMXRSMBUSJBD-UDWIEESQSA-N
MW322.36 g/mol
LogP3.66
Rot. Bonds5

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide (PubChem CID 5334957) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
PubChem CID5334957
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
SMILESCc1ccc(/C=N/NC(=O)C(C)Oc2cccc3ccccc23)o1
InChIInChI=1S/C19H18N2O3/c1-13-10-11-16(23-13)12-20-21-19(22)14(2)24-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,14H,1-2H3,(H,21,22)/b20-12+
InChIKeyCSKMXRSMBUSJBD-UDWIEESQSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.66
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-1-yloxypropanamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide (CID 5334957) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide is Cc1ccc(/C=N/NC(=O)C(C)Oc2cccc3ccccc23)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
The InChIKey is CSKMXRSMBUSJBD-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-10-11-16(23-13)12-20-21-19(22)14(2)24-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,14H,1-2H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide has a molecular weight of 322.36 g/mol, XLogP of 3.66, 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-1-yloxypropanamide is sourced from PubChem (CID 5334957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).