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

C20H24N2O — CID 2574622

IUPAC2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
SMILESC[C@H]1Cc2ccccc2N1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H24N2O/c1-16-14-18-11-5-6-12-19(18)22(16)15-20(23)21-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,16H,7,10,13-15H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyZBKJGMJAKRURNH-INIZCTEOSA-N
MW308.43 g/mol
LogP3.19
Rot. Bonds6

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

2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 2574622) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID2574622
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
SMILESC[C@H]1Cc2ccccc2N1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C20H24N2O/c1-16-14-18-11-5-6-12-19(18)22(16)15-20(23)21-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,16H,7,10,13-15H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyZBKJGMJAKRURNH-INIZCTEOSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 112799631
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8686068
N-(ethylcarbamoyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 8685970
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200030
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993
N-(2-fluorophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2652898
N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 86972734
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8686273
N-(2,3-dimethylphenyl)-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]acetamide
CID 17467252

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide (CID 2574622) is 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide is C[C@H]1Cc2ccccc2N1CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is ZBKJGMJAKRURNH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-14-18-11-5-6-12-19(18)22(16)15-20(23)21-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,16H,7,10,13-15H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide?
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2574622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).