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

C22H24N2O3 — CID 122623083

IUPAC(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESCc1ccccc1CN(O)C(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)CC2
InChIInChI=1S/C22H24N2O3/c1-15-4-2-3-5-18(15)14-24(27)20(25)17-7-6-16-8-9-22(13-19(16)12-17)10-11-23-21(22)26/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,26)/t22-/m1/s1
InChIKeyHLWYIWSDRVLXTC-JOCHJYFZSA-N
MW364.45 g/mol
LogP3.02
Rot. Bonds3

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

(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (PubChem CID 122623083) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
PubChem CID122623083
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESCc1ccccc1CN(O)C(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)CC2
InChIInChI=1S/C22H24N2O3/c1-15-4-2-3-5-18(15)14-24(27)20(25)17-7-6-16-8-9-22(13-19(16)12-17)10-11-23-21(22)26/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,26)/t22-/m1/s1
InChIKeyHLWYIWSDRVLXTC-JOCHJYFZSA-N
XLogP3.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.02
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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Related Compounds

(7S)-N-[(3-fluorophenyl)methyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622966
(7S)-N-hydroxy-2'-oxo-N-(3-phenylprop-2-enyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623062
(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623057
(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624532
(7S)-N-hydroxy-N-(2-morpholin-4-yl-2-oxoethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622972
(7S)-N-hydroxy-2'-oxo-N-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622984
methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619725
(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624611
7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 122634837
(6R)-N-hydroxy-N-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624547
(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624691
(6R)-N-hydroxy-2'-oxo-N-quinolin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624596

Frequently Asked Questions

What is the IUPAC name of (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (CID 122623083) is (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is Cc1ccccc1CN(O)C(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)CC2.
What is the InChIKey of (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The InChIKey is HLWYIWSDRVLXTC-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-4-2-3-5-18(15)14-24(27)20(25)17-7-6-16-8-9-22(13-19(16)12-17)10-11-23-21(22)26/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,26)/t22-/m1/s1.
What are the key properties of (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122623083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).