2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide

C18H25N3O2 — CID 95161347

IUPAC2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCC(C)N1CC[C@@H](CNC(=O)C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H25N3O2/c1-13(2)20-9-7-14(12-20)11-19-17(22)18(23)21-10-8-15-5-3-4-6-16(15)21/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyMLXUBUWUBMOZLV-AWEZNQCLSA-N
MW315.42 g/mol
LogP1.42
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide

2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 95161347) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
PubChem CID95161347
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCC(C)N1CC[C@@H](CNC(=O)C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C18H25N3O2/c1-13(2)20-9-7-14(12-20)11-19-17(22)18(23)21-10-8-15-5-3-4-6-16(15)21/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyMLXUBUWUBMOZLV-AWEZNQCLSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 100838637
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 63773492
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 79222856
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124811415

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide (CID 95161347) is 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide is CC(C)N1CC[C@@H](CNC(=O)C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is MLXUBUWUBMOZLV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)20-9-7-14(12-20)11-19-17(22)18(23)21-10-8-15-5-3-4-6-16(15)21/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-2-oxo-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95161347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).