N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide

C17H20N2O4 — CID 164627877

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide
SMILESO=C(CCCCCONC(=O)c1cccc2ccccc12)NO
InChIInChI=1S/C17H20N2O4/c20-16(18-22)11-2-1-5-12-23-19-17(21)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10,22H,1-2,5,11-12H2,(H,18,20)(H,19,21)
InChIKeyPNBXRTHKXVSYBU-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds8

About N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide

N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide (PubChem CID 164627877) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide
PubChem CID164627877
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide
SMILESO=C(CCCCCONC(=O)c1cccc2ccccc12)NO
InChIInChI=1S/C17H20N2O4/c20-16(18-22)11-2-1-5-12-23-19-17(21)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10,22H,1-2,5,11-12H2,(H,18,20)(H,19,21)
InChIKeyPNBXRTHKXVSYBU-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide (CID 164627877) is N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide is O=C(CCCCCONC(=O)c1cccc2ccccc12)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide?
The InChIKey is PNBXRTHKXVSYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-16(18-22)11-2-1-5-12-23-19-17(21)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,6-10,22H,1-2,5,11-12H2,(H,18,20)(H,19,21).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-carboxamide?
N-[6-(hydroxyamino)-6-oxohexoxy]naphthalene-1-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-1-carboxamide is sourced from PubChem (CID 164627877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).