N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

C21H27N3O — CID 112799631

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C21H27N3O/c1-16-13-18-11-7-8-12-19(18)24(16)15-21(25)22-14-20(23(2)3)17-9-5-4-6-10-17/h4-12,16,20H,13-15H2,1-3H3,(H,22,25)
InChIKeyRJDGJRATEQEMGY-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 112799631) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID112799631
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC1Cc2ccccc2N1CC(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C21H27N3O/c1-16-13-18-11-7-8-12-19(18)24(16)15-21(25)22-14-20(23(2)3)17-9-5-4-6-10-17/h4-12,16,20H,13-15H2,1-3H3,(H,22,25)
InChIKeyRJDGJRATEQEMGY-UHFFFAOYSA-N
XLogP2.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2098844
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
CID 2574622
N-(3-methylbutan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 86908313
N-[1-(4-chlorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 42883636
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
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
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8686068
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2652884
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2484554
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3289813
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (CID 112799631) is N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is CC1Cc2ccccc2N1CC(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is RJDGJRATEQEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-13-18-11-7-8-12-19(18)24(16)15-21(25)22-14-20(23(2)3)17-9-5-4-6-10-17/h4-12,16,20H,13-15H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 112799631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).