(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide

C18H22N2O4 — CID 122622976

IUPAC(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
SMILESO=C1C[C@@]2(CCc3ccc(C(=O)N(O)CC4COC4)cc3C2)CN1
InChIInChI=1S/C18H22N2O4/c21-16-7-18(11-19-16)4-3-13-1-2-14(5-15(13)6-18)17(22)20(23)8-12-9-24-10-12/h1-2,5,12,23H,3-4,6-11H2,(H,19,21)/t18-/m0/s1
InChIKeyPKISQXPUFVIMDG-SFHVURJKSA-N
MW330.38 g/mol
LogP1.16
Rot. Bonds3

About (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide

(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide (PubChem CID 122622976) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
PubChem CID122622976
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
SMILESO=C1C[C@@]2(CCc3ccc(C(=O)N(O)CC4COC4)cc3C2)CN1
InChIInChI=1S/C18H22N2O4/c21-16-7-18(11-19-16)4-3-13-1-2-14(5-15(13)6-18)17(22)20(23)8-12-9-24-10-12/h1-2,5,12,23H,3-4,6-11H2,(H,19,21)/t18-/m0/s1
InChIKeyPKISQXPUFVIMDG-SFHVURJKSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide (CID 122622976) is (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide is O=C1C[C@@]2(CCc3ccc(C(=O)N(O)CC4COC4)cc3C2)CN1.
What is the InChIKey of (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The InChIKey is PKISQXPUFVIMDG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16-7-18(11-19-16)4-3-13-1-2-14(5-15(13)6-18)17(22)20(23)8-12-9-24-10-12/h1-2,5,12,23H,3-4,6-11H2,(H,19,21)/t18-/m0/s1.
What are the key properties of (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122622976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).