(7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

C22H24N2O3 — CID 122619772

IUPAC(7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESCc1ccc(N2CC[C@@]3(CCc4ccc(C(=O)NO)cc4C3)C2=O)c(C)c1
InChIInChI=1S/C22H24N2O3/c1-14-3-6-19(15(2)11-14)24-10-9-22(21(24)26)8-7-16-4-5-17(20(25)23-27)12-18(16)13-22/h3-6,11-12,27H,7-10,13H2,1-2H3,(H,23,25)/t22-/m1/s1
InChIKeyHQHAJFSWLFYSIS-JOCHJYFZSA-N
MW364.45 g/mol
LogP3.33
Rot. Bonds2

About (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

(7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (PubChem CID 122619772) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
PubChem CID122619772
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESCc1ccc(N2CC[C@@]3(CCc4ccc(C(=O)NO)cc4C3)C2=O)c(C)c1
InChIInChI=1S/C22H24N2O3/c1-14-3-6-19(15(2)11-14)24-10-9-22(21(24)26)8-7-16-4-5-17(20(25)23-27)12-18(16)13-22/h3-6,11-12,27H,7-10,13H2,1-2H3,(H,23,25)/t22-/m1/s1
InChIKeyHQHAJFSWLFYSIS-JOCHJYFZSA-N
XLogP3.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.33
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'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (CID 122619772) is (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is Cc1ccc(N2CC[C@@]3(CCc4ccc(C(=O)NO)cc4C3)C2=O)c(C)c1.
What is the InChIKey of (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The InChIKey is HQHAJFSWLFYSIS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-3-6-19(15(2)11-14)24-10-9-22(21(24)26)8-7-16-4-5-17(20(25)23-27)12-18(16)13-22/h3-6,11-12,27H,7-10,13H2,1-2H3,(H,23,25)/t22-/m1/s1.
What are the key properties of (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
(7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1'-(2,4-dimethylphenyl)-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122619772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).