(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine

C20H19NO4 — CID 122179770

IUPAC(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine
SMILESCOc1ccc(OC)c(/C(COc2ccc3ccccc3c2)=N/O)c1
InChIInChI=1S/C20H19NO4/c1-23-16-9-10-20(24-2)18(12-16)19(21-22)13-25-17-8-7-14-5-3-4-6-15(14)11-17/h3-12,22H,13H2,1-2H3/b21-19+
InChIKeyJXHIVOBMIKFZFU-XUTLUUPISA-N
MW337.38 g/mol
LogP4.11
Rot. Bonds6

About (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine

(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine (PubChem CID 122179770) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine
PubChem CID122179770
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine
SMILESCOc1ccc(OC)c(/C(COc2ccc3ccccc3c2)=N/O)c1
InChIInChI=1S/C20H19NO4/c1-23-16-9-10-20(24-2)18(12-16)19(21-22)13-25-17-8-7-14-5-3-4-6-15(14)11-17/h3-12,22H,13H2,1-2H3/b21-19+
InChIKeyJXHIVOBMIKFZFU-XUTLUUPISA-N
XLogP4.11
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.11
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 (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine (CID 122179770) is (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine is COc1ccc(OC)c(/C(COc2ccc3ccccc3c2)=N/O)c1.
What is the InChIKey of (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine?
The InChIKey is JXHIVOBMIKFZFU-XUTLUUPISA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-16-9-10-20(24-2)18(12-16)19(21-22)13-25-17-8-7-14-5-3-4-6-15(14)11-17/h3-12,22H,13H2,1-2H3/b21-19+.
What are the key properties of (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine?
(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine has a molecular weight of 337.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-2-yloxyethylidene]hydroxylamine is sourced from PubChem (CID 122179770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).