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

C21H24N2O2 — CID 8686068

IUPAC2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN1c2ccccc2C[C@@H]1C
InChIInChI=1S/C21H24N2O2/c1-15-12-18-10-6-7-11-20(18)23(15)14-21(25)22-19(16(2)24)13-17-8-4-3-5-9-17/h3-11,15,19H,12-14H2,1-2H3,(H,22,25)/t15-,19-/m0/s1
InChIKeyORFMYKZFNWBIRV-KXBFYZLASA-N
MW336.44 g/mol
LogP2.75
Rot. Bonds6

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

2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 8686068) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID8686068
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN1c2ccccc2C[C@@H]1C
InChIInChI=1S/C21H24N2O2/c1-15-12-18-10-6-7-11-20(18)23(15)14-21(25)22-19(16(2)24)13-17-8-4-3-5-9-17/h3-11,15,19H,12-14H2,1-2H3,(H,22,25)/t15-,19-/m0/s1
InChIKeyORFMYKZFNWBIRV-KXBFYZLASA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361
2-(4-methylpiperidin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8543566
N-[1-(4-chlorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 42883636
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 8686076
2-(4-benzylpiperazin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7809338
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-naphthalen-1-ylacetamide
CID 25357225
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 112799631

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 8686068) is 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1c2ccccc2C[C@@H]1C.
What is the InChIKey of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is ORFMYKZFNWBIRV-KXBFYZLASA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-12-18-10-6-7-11-20(18)23(15)14-21(25)22-19(16(2)24)13-17-8-4-3-5-9-17/h3-11,15,19H,12-14H2,1-2H3,(H,22,25)/t15-,19-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 8686068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).