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

C20H19NO4 — CID 122179760

IUPAC(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine
SMILESCOc1ccc(OC)c(/C(COc2cccc3ccccc23)=N/O)c1
InChIInChI=1S/C20H19NO4/c1-23-15-10-11-19(24-2)17(12-15)18(21-22)13-25-20-9-5-7-14-6-3-4-8-16(14)20/h3-12,22H,13H2,1-2H3/b21-18+
InChIKeyNIICGBTZRPKQSG-DYTRJAOYSA-N
MW337.38 g/mol
LogP4.11
Rot. Bonds6

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

(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine (PubChem CID 122179760) 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-1-yloxyethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine
PubChem CID122179760
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine
SMILESCOc1ccc(OC)c(/C(COc2cccc3ccccc23)=N/O)c1
InChIInChI=1S/C20H19NO4/c1-23-15-10-11-19(24-2)17(12-15)18(21-22)13-25-20-9-5-7-14-6-3-4-8-16(14)20/h3-12,22H,13H2,1-2H3/b21-18+
InChIKeyNIICGBTZRPKQSG-DYTRJAOYSA-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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Related Compounds

(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
2-(4-methoxyphenyl)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 3488640
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
1-(3-methoxyphenyl)-2-naphthalen-1-yloxyethanamine
CID 16788018
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 1365002
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
methanol;1-methoxynaphthalene;neptunium
CID 157299455
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 7627379
(2,7-dimethoxynaphthalen-1-yl)-naphthalen-1-ylmethanone
CID 139085652

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine (CID 122179760) is (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine is COc1ccc(OC)c(/C(COc2cccc3ccccc23)=N/O)c1.
What is the InChIKey of (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine?
The InChIKey is NIICGBTZRPKQSG-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-15-10-11-19(24-2)17(12-15)18(21-22)13-25-20-9-5-7-14-6-3-4-8-16(14)20/h3-12,22H,13H2,1-2H3/b21-18+.
What are the key properties of (NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-yloxyethylidene]hydroxylamine?
(NZ)-N-[1-(2,5-dimethoxyphenyl)-2-naphthalen-1-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-1-yloxyethylidene]hydroxylamine is sourced from PubChem (CID 122179760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).