6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide

C15H13NO4 — CID 46899635

IUPAC6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H]3COC3=O)ccc2c1
InChIInChI=1S/C15H13NO4/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)14(17)16-13-8-20-15(13)18/h2-7,13H,8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyVNTSHSUETILFAB-ZDUSSCGKSA-N
MW271.27 g/mol
LogP1.50
Rot. Bonds3

About 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide

6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide (PubChem CID 46899635) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide
PubChem CID46899635
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H]3COC3=O)ccc2c1
InChIInChI=1S/C15H13NO4/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)14(17)16-13-8-20-15(13)18/h2-7,13H,8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyVNTSHSUETILFAB-ZDUSSCGKSA-N
XLogP1.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide (CID 46899635) is 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide is COc1ccc2cc(C(=O)N[C@H]3COC3=O)ccc2c1.
What is the InChIKey of 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide?
The InChIKey is VNTSHSUETILFAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)14(17)16-13-8-20-15(13)18/h2-7,13H,8H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide?
6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide has a molecular weight of 271.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3S)-2-oxooxetan-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 46899635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).