N-(oxan-2-yloxy)naphthalene-1-carboxamide

C16H17NO3 — CID 51103162

IUPACN-(oxan-2-yloxy)naphthalene-1-carboxamide
SMILESO=C(NOC1CCCCO1)c1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c18-16(17-20-15-10-3-4-11-19-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2,(H,17,18)
InChIKeyBYMMEBIYTVWLEF-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.03
Rot. Bonds3

About N-(oxan-2-yloxy)naphthalene-1-carboxamide

N-(oxan-2-yloxy)naphthalene-1-carboxamide (PubChem CID 51103162) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(oxan-2-yloxy)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-2-yloxy)naphthalene-1-carboxamide
PubChem CID51103162
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(oxan-2-yloxy)naphthalene-1-carboxamide
SMILESO=C(NOC1CCCCO1)c1cccc2ccccc12
InChIInChI=1S/C16H17NO3/c18-16(17-20-15-10-3-4-11-19-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2,(H,17,18)
InChIKeyBYMMEBIYTVWLEF-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)naphthalene-1-carboxamide?
The IUPAC name of N-(oxan-2-yloxy)naphthalene-1-carboxamide (CID 51103162) is N-(oxan-2-yloxy)naphthalene-1-carboxamide.
What is the SMILES notation for N-(oxan-2-yloxy)naphthalene-1-carboxamide?
The canonical SMILES for N-(oxan-2-yloxy)naphthalene-1-carboxamide is O=C(NOC1CCCCO1)c1cccc2ccccc12.
What is the InChIKey of N-(oxan-2-yloxy)naphthalene-1-carboxamide?
The InChIKey is BYMMEBIYTVWLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(17-20-15-10-3-4-11-19-15)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2,(H,17,18).
What are the key properties of N-(oxan-2-yloxy)naphthalene-1-carboxamide?
N-(oxan-2-yloxy)naphthalene-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)naphthalene-1-carboxamide is sourced from PubChem (CID 51103162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).