N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide

C22H25N3O2 — CID 41456392

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CN3CCC[C@@H]3c3ccccc3)ccc21
InChIInChI=1S/C22H25N3O2/c1-16(26)25-13-11-18-14-19(9-10-21(18)25)23-22(27)15-24-12-5-8-20(24)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyJRVVBUVTKYWYSZ-HXUWFJFHSA-N
MW363.46 g/mol
LogP3.37
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide (PubChem CID 41456392) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
PubChem CID41456392
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CN3CCC[C@@H]3c3ccccc3)ccc21
InChIInChI=1S/C22H25N3O2/c1-16(26)25-13-11-18-14-19(9-10-21(18)25)23-22(27)15-24-12-5-8-20(24)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeyJRVVBUVTKYWYSZ-HXUWFJFHSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-(1,3-benzodioxol-5-yl)-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 17440176
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41456404
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832
2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78835208
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 25499636
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide (CID 41456392) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide is CC(=O)N1CCc2cc(NC(=O)CN3CCC[C@@H]3c3ccccc3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is JRVVBUVTKYWYSZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(26)25-13-11-18-14-19(9-10-21(18)25)23-22(27)15-24-12-5-8-20(24)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3,(H,23,27)/t20-/m1/s1.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 41456392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).