N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide

C18H22N2O3 — CID 42599458

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide
SMILESO=C(CCCCCCNC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C18H22N2O3/c21-17(20-23)9-3-1-2-6-12-19-18(22)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,23H,1-3,6,9,12H2,(H,19,22)(H,20,21)
InChIKeyIUVUZERDURJGCP-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.03
Rot. Bonds8

About N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide (PubChem CID 42599458) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide
PubChem CID42599458
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide
SMILESO=C(CCCCCCNC(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C18H22N2O3/c21-17(20-23)9-3-1-2-6-12-19-18(22)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,23H,1-3,6,9,12H2,(H,19,22)(H,20,21)
InChIKeyIUVUZERDURJGCP-UHFFFAOYSA-N
XLogP3.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.03
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
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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-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide (CID 42599458) is N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide is O=C(CCCCCCNC(=O)c1ccc2ccccc2c1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide?
The InChIKey is IUVUZERDURJGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(20-23)9-3-1-2-6-12-19-18(22)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,23H,1-3,6,9,12H2,(H,19,22)(H,20,21).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42599458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).