N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide

C19H24N2O3 — CID 42598944

IUPACN-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide
SMILESO=C(CCCCCCCNC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C19H24N2O3/c22-18(21-24)10-4-2-1-3-7-13-20-19(23)17-12-11-15-8-5-6-9-16(15)14-17/h5-6,8-9,11-12,14,24H,1-4,7,10,13H2,(H,20,23)(H,21,22)
InChIKeyHUACOPNZWJZPLY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.42
Rot. Bonds9

About N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide

N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide (PubChem CID 42598944) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide
PubChem CID42598944
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide
SMILESO=C(CCCCCCCNC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C19H24N2O3/c22-18(21-24)10-4-2-1-3-7-13-20-19(23)17-12-11-15-8-5-6-9-16(15)14-17/h5-6,8-9,11-12,14,24H,1-4,7,10,13H2,(H,20,23)(H,21,22)
InChIKeyHUACOPNZWJZPLY-UHFFFAOYSA-N
XLogP3.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.42
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-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide?
The IUPAC name of N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide (CID 42598944) is N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide is O=C(CCCCCCCNC(=O)c1ccc2ccccc2c1)NO.
What is the InChIKey of N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide?
The InChIKey is HUACOPNZWJZPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18(21-24)10-4-2-1-3-7-13-20-19(23)17-12-11-15-8-5-6-9-16(15)14-17/h5-6,8-9,11-12,14,24H,1-4,7,10,13H2,(H,20,23)(H,21,22).
What are the key properties of N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide?
N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.42, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(hydroxyamino)-8-oxooctyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42598944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).