N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide

C20H24N2O — CID 110353132

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)NCCN1CCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-16(15-17-7-3-2-4-8-17)20(23)21-12-14-22-13-11-18-9-5-6-10-19(18)22/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyWETHILOTTKPVSW-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 110353132) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
PubChem CID110353132
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)NCCN1CCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-16(15-17-7-3-2-4-8-17)20(23)21-12-14-22-13-11-18-9-5-6-10-19(18)22/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyWETHILOTTKPVSW-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110620139
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361
(2R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97194945
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
(3S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97191213
(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
CID 126443756
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide (CID 110353132) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide is CC(Cc1ccccc1)C(=O)NCCN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is WETHILOTTKPVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16(15-17-7-3-2-4-8-17)20(23)21-12-14-22-13-11-18-9-5-6-10-19(18)22/h2-10,16H,11-15H2,1H3,(H,21,23).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 308.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 110353132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).