N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide

C17H20N2O4 — CID 164626366

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide
SMILESO=C(CCCCCONC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C17H20N2O4/c20-16(18-22)8-2-1-5-11-23-19-17(21)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,22H,1-2,5,8,11H2,(H,18,20)(H,19,21)
InChIKeyYDGNQLWJPVIXKO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds8

About N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide

N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide (PubChem CID 164626366) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide
PubChem CID164626366
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide
SMILESO=C(CCCCCONC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C17H20N2O4/c20-16(18-22)8-2-1-5-11-23-19-17(21)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,22H,1-2,5,8,11H2,(H,18,20)(H,19,21)
InChIKeyYDGNQLWJPVIXKO-UHFFFAOYSA-N
XLogP2.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide 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 N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide (CID 164626366) is N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide is O=C(CCCCCONC(=O)c1ccc2ccccc2c1)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide?
The InChIKey is YDGNQLWJPVIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-16(18-22)8-2-1-5-11-23-19-17(21)15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,22H,1-2,5,8,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide?
N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 164626366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).