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

C17H20N2O3 — CID 42599459

IUPACN-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide
SMILESO=C(CCCCCNC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C17H20N2O3/c20-16(19-22)8-2-1-5-11-18-17(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,18,21)(H,19,20)
InChIKeyDQWSLVMETKWWJY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.64
Rot. Bonds7

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

N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide (PubChem CID 42599459) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide
PubChem CID42599459
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide
SMILESO=C(CCCCCNC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C17H20N2O3/c20-16(19-22)8-2-1-5-11-18-17(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,18,21)(H,19,20)
InChIKeyDQWSLVMETKWWJY-UHFFFAOYSA-N
XLogP2.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

CID 5186
CID 5186
CID 21987656
CID 21987656
CID 23382
CID 23382
CID 723105
CID 723105
CID 809338
CID 809338
CID 36131
CID 36131
CID 10130246
CID 10130246
CID 17748273
CID 17748273
CID 809340
CID 809340
CID 46673962
CID 46673962
CID 24856363
CID 24856363
CID 1220236
CID 1220236

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide (CID 42599459) is N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide is O=C(CCCCCNC(=O)c1ccc2ccccc2c1)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide?
The InChIKey is DQWSLVMETKWWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-16(19-22)8-2-1-5-11-18-17(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,18,21)(H,19,20).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide?
N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42599459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).