(NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

C20H19NO4 — CID 44580365

IUPAC(NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(/C(=N/O)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-17-11-16(12-18(24-2)20(17)25-3)19(21-22)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,22H,1-3H3/b21-19+
InChIKeyKILOMLZASNVJLX-XUTLUUPISA-N
MW337.38 g/mol
LogP4.09
Rot. Bonds5

About (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine

(NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (PubChem CID 44580365) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
PubChem CID44580365
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(/C(=N/O)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-17-11-16(12-18(24-2)20(17)25-3)19(21-22)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,22H,1-3H3/b21-19+
InChIKeyKILOMLZASNVJLX-XUTLUUPISA-N
XLogP4.09
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine (CID 44580365) is (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is COc1cc(/C(=N/O)c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is KILOMLZASNVJLX-XUTLUUPISA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-17-11-16(12-18(24-2)20(17)25-3)19(21-22)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,22H,1-3H3/b21-19+.
What are the key properties of (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 337.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[naphthalen-2-yl-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 44580365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).