1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone

C21H27N3O — CID 110654033

IUPAC1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
SMILESCc1cc(C(=O)CNCCc2c[nH]c3ccccc23)c(C)n1C(C)C
InChIInChI=1S/C21H27N3O/c1-14(2)24-15(3)11-19(16(24)4)21(25)13-22-10-9-17-12-23-20-8-6-5-7-18(17)20/h5-8,11-12,14,22-23H,9-10,13H2,1-4H3
InChIKeyXXQBKSRIYZWQHJ-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.18
Rot. Bonds7

About 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone (PubChem CID 110654033) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
PubChem CID110654033
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
SMILESCc1cc(C(=O)CNCCc2c[nH]c3ccccc23)c(C)n1C(C)C
InChIInChI=1S/C21H27N3O/c1-14(2)24-15(3)11-19(16(24)4)21(25)13-22-10-9-17-12-23-20-8-6-5-7-18(17)20/h5-8,11-12,14,22-23H,9-10,13H2,1-4H3
InChIKeyXXQBKSRIYZWQHJ-UHFFFAOYSA-N
XLogP4.18
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone
CID 110653995
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50977958
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone (CID 110654033) is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone is Cc1cc(C(=O)CNCCc2c[nH]c3ccccc23)c(C)n1C(C)C.
What is the InChIKey of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone?
The InChIKey is XXQBKSRIYZWQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14(2)24-15(3)11-19(16(24)4)21(25)13-22-10-9-17-12-23-20-8-6-5-7-18(17)20/h5-8,11-12,14,22-23H,9-10,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone?
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone has a molecular weight of 337.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone is sourced from PubChem (CID 110654033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).