3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide

C21H24N2O — CID 23356005

IUPAC3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
SMILESCC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H24N2O/c1-21(2,14-17-15-23-19-11-7-6-10-18(17)19)20(24)22-13-12-16-8-4-3-5-9-16/h3-11,15,23H,12-14H2,1-2H3,(H,22,24)
InChIKeyPTAZYIHTOAEFPM-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.10
Rot. Bonds6

About 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide

3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide (PubChem CID 23356005) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
PubChem CID23356005
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
SMILESCC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H24N2O/c1-21(2,14-17-15-23-19-11-7-6-10-18(17)19)20(24)22-13-12-16-8-4-3-5-9-16/h3-11,15,23H,12-14H2,1-2H3,(H,22,24)
InChIKeyPTAZYIHTOAEFPM-UHFFFAOYSA-N
XLogP4.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide
CID 54112601
(4-fluorophenyl)methyl-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamic acid
CID 67600506
cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 10455561
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
(2,4-difluorophenyl)methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 57261981
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
4-[[(2S)-2-amino-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 67671736
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 19047782

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide (CID 23356005) is 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide is CC(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide?
The InChIKey is PTAZYIHTOAEFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-21(2,14-17-15-23-19-11-7-6-10-18(17)19)20(24)22-13-12-16-8-4-3-5-9-16/h3-11,15,23H,12-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide?
3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 23356005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).