methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate

C20H25NO5 — CID 155559583

IUPACmethyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
InChIInChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
InChIKeyMHNICVIDZOWYFE-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.85
Rot. Bonds10

About methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate

methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate (PubChem CID 155559583) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate
PubChem CID155559583
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Namemethyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
InChIInChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
InChIKeyMHNICVIDZOWYFE-UHFFFAOYSA-N
XLogP3.85
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate?
The IUPAC name of methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate (CID 155559583) is methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate?
The canonical SMILES for methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO.
What is the InChIKey of methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate?
The InChIKey is MHNICVIDZOWYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22).
What are the key properties of methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate?
methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate has a molecular weight of 359.42 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[8-(hydroxyamino)-8-oxooctoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 155559583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).