(2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C18H23N3O3 — CID 71452127

IUPAC(2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCN(C(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12)C1CCOCC1
InChIInChI=1S/C18H23N3O3/c1-21(12-6-8-24-9-7-12)16(22)15-10-18(11-19-15)13-4-2-3-5-14(13)20-17(18)23/h2-5,12,15,19H,6-11H2,1H3,(H,20,23)/t15-,18-/m1/s1
InChIKeyVOHRWJDVPYGASD-CRAIPNDOSA-N
MW329.40 g/mol
LogP0.88
Rot. Bonds2

About (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 71452127) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID71452127
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCN(C(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12)C1CCOCC1
InChIInChI=1S/C18H23N3O3/c1-21(12-6-8-24-9-7-12)16(22)15-10-18(11-19-15)13-4-2-3-5-14(13)20-17(18)23/h2-5,12,15,19H,6-11H2,1H3,(H,20,23)/t15-,18-/m1/s1
InChIKeyVOHRWJDVPYGASD-CRAIPNDOSA-N
XLogP0.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
N-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2954226
N-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)acetamide
CID 4236752
(R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067550
ethyl 4-methyl-4-[[(3S)-3-(2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 71528087
1'-Methylspiro[indoline-3,3'-pyrrolidin]-2-one
CID 10932530
US11339170, Example 4
CID 165112173
US11339170, Example 10
CID 165112179
US11339170, Example 20
CID 165112189
US11339170, Example 21
CID 165112190
US11339170, Example 24
CID 165112191
US11339170, Example 47
CID 165112214

Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 71452127) is (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CN(C(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12)C1CCOCC1.
What is the InChIKey of (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is VOHRWJDVPYGASD-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21(12-6-8-24-9-7-12)16(22)15-10-18(11-19-15)13-4-2-3-5-14(13)20-17(18)23/h2-5,12,15,19H,6-11H2,1H3,(H,20,23)/t15-,18-/m1/s1.
What are the key properties of (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-N-methyl-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 71452127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).