(6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide

C21H22N2O3 — CID 122624658

IUPAC(6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
SMILESO=C1C[C@]2(CCc3cc(C(=O)N(O)Cc4ccccc4)ccc3C2)CN1
InChIInChI=1S/C21H22N2O3/c24-19-12-21(14-22-19)9-8-16-10-17(6-7-18(16)11-21)20(25)23(26)13-15-4-2-1-3-5-15/h1-7,10,26H,8-9,11-14H2,(H,22,24)/t21-/m1/s1
InChIKeyDPMXGGRUGAFHTP-OAQYLSRUSA-N
MW350.42 g/mol
LogP2.71
Rot. Bonds3

About (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide

(6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide (PubChem CID 122624658) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
PubChem CID122624658
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
SMILESO=C1C[C@]2(CCc3cc(C(=O)N(O)Cc4ccccc4)ccc3C2)CN1
InChIInChI=1S/C21H22N2O3/c24-19-12-21(14-22-19)9-8-16-10-17(6-7-18(16)11-21)20(25)23(26)13-15-4-2-1-3-5-15/h1-7,10,26H,8-9,11-14H2,(H,22,24)/t21-/m1/s1
InChIKeyDPMXGGRUGAFHTP-OAQYLSRUSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide with MolForge

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Related Compounds

(6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
CID 122624491
(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122622976
1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
CID 20615921
(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624532
(7S)-N-[(3-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622966
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256224
N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122622994
N-benzyl-2-oxo-N-phenyl-1,3-dihydroindole-5-carboxamide
CID 110862596
(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623083
(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623057
(7S)-N-hydroxy-2'-oxo-N-(3-phenylprop-2-enyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623062
N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78826066

Frequently Asked Questions

What is the IUPAC name of (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide (CID 122624658) is (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide is O=C1C[C@]2(CCc3cc(C(=O)N(O)Cc4ccccc4)ccc3C2)CN1.
What is the InChIKey of (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide?
The InChIKey is DPMXGGRUGAFHTP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-19-12-21(14-22-19)9-8-16-10-17(6-7-18(16)11-21)20(25)23(26)13-15-4-2-1-3-5-15/h1-7,10,26H,8-9,11-14H2,(H,22,24)/t21-/m1/s1.
What are the key properties of (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide?
(6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122624658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).