N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide

C16H18N2O3 — CID 42598709

IUPACN-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide
SMILESO=C(CCCCNC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C16H18N2O3/c19-15(18-21)7-3-4-10-17-16(20)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,21H,3-4,7,10H2,(H,17,20)(H,18,19)
InChIKeyXTDCUJIWKNKZEI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.25
Rot. Bonds6

About N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide

N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide (PubChem CID 42598709) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide
PubChem CID42598709
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide
SMILESO=C(CCCCNC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C16H18N2O3/c19-15(18-21)7-3-4-10-17-16(20)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,21H,3-4,7,10H2,(H,17,20)(H,18,19)
InChIKeyXTDCUJIWKNKZEI-UHFFFAOYSA-N
XLogP2.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide (CID 42598709) is N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide is O=C(CCCCNC(=O)c1ccc2ccccc2c1)NO.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide?
The InChIKey is XTDCUJIWKNKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(18-21)7-3-4-10-17-16(20)14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11,21H,3-4,7,10H2,(H,17,20)(H,18,19).
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxyamino)-5-oxopentyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42598709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).