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

C18H24N2O3 — CID 122622994

IUPACN-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
SMILESCC(C)[C@@H](O)NC(=O)c1ccc2c(c1)CC1(CC2)CNC(=O)C1
InChIInChI=1S/C18H24N2O3/c1-11(2)16(22)20-17(23)13-4-3-12-5-6-18(8-14(12)7-13)9-15(21)19-10-18/h3-4,7,11,16,22H,5-6,8-10H2,1-2H3,(H,19,21)(H,20,23)/t16-,18?/m1/s1
InChIKeyDNMBLWMZDCXUTQ-PYUWXLGESA-N
MW316.40 g/mol
LogP1.39
Rot. Bonds3

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

N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide (PubChem CID 122622994) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
PubChem CID122622994
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
SMILESCC(C)[C@@H](O)NC(=O)c1ccc2c(c1)CC1(CC2)CNC(=O)C1
InChIInChI=1S/C18H24N2O3/c1-11(2)16(22)20-17(23)13-4-3-12-5-6-18(8-14(12)7-13)9-15(21)19-10-18/h3-4,7,11,16,22H,5-6,8-10H2,1-2H3,(H,19,21)(H,20,23)/t16-,18?/m1/s1
InChIKeyDNMBLWMZDCXUTQ-PYUWXLGESA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(7S)-N-hydroxy-N-(oxetan-3-ylmethyl)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122622976
N-hydroxy-2'-oxo-1'-propan-2-ylspiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122632324
(6R)-N-benzyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
CID 122624658
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
N-hydroxy-1'-methyl-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122632339
1'-(cyclobutylmethyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;1'-(cyclobutylmethyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylic acid;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate
CID 159222864
(6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
CID 122624491
N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide
CID 122622950
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The IUPAC name of N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide (CID 122622994) is N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The canonical SMILES for N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide is CC(C)[C@@H](O)NC(=O)c1ccc2c(c1)CC1(CC2)CNC(=O)C1.
What is the InChIKey of N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
The InChIKey is DNMBLWMZDCXUTQ-PYUWXLGESA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11(2)16(22)20-17(23)13-4-3-12-5-6-18(8-14(12)7-13)9-15(21)19-10-18/h3-4,7,11,16,22H,5-6,8-10H2,1-2H3,(H,19,21)(H,20,23)/t16-,18?/m1/s1.
What are the key properties of N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide?
N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-hydroxy-2-methylpropyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122622994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).