6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one

C22H26N2O — CID 174474581

IUPAC6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one
SMILESCCc1ccccc1NCCCCCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H26N2O/c1-2-17-10-5-7-12-20(17)23-15-9-3-4-14-22(25)19-16-24-21-13-8-6-11-18(19)21/h5-8,10-13,16,23-24H,2-4,9,14-15H2,1H3
InChIKeyWRGRMQIVGMUQJE-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.59
Rot. Bonds9

About 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one

6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one (PubChem CID 174474581) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one.

Molecular Properties

Compound Name6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one
PubChem CID174474581
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one
SMILESCCc1ccccc1NCCCCCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H26N2O/c1-2-17-10-5-7-12-20(17)23-15-9-3-4-14-22(25)19-16-24-21-13-8-6-11-18(19)21/h5-8,10-13,16,23-24H,2-4,9,14-15H2,1H3
InChIKeyWRGRMQIVGMUQJE-UHFFFAOYSA-N
XLogP5.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride
CID 174474580
1-(7-ethyl-1H-indol-3-yl)octan-1-one
CID 43339303
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride
CID 174341226
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
4-(1H-indol-3-yl)-N,N-dimethyl-4-oxobutanamide
CID 4999074
methyl 3-[[4-(1H-indol-3-yl)-4-oxobutyl]-methylamino]-3-oxopropanoate
CID 13351531
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one?
The IUPAC name of 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one (CID 174474581) is 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one.
What is the SMILES notation for 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one?
The canonical SMILES for 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one is CCc1ccccc1NCCCCCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one?
The InChIKey is WRGRMQIVGMUQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-17-10-5-7-12-20(17)23-15-9-3-4-14-22(25)19-16-24-21-13-8-6-11-18(19)21/h5-8,10-13,16,23-24H,2-4,9,14-15H2,1H3.
What are the key properties of 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one?
6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one has a molecular weight of 334.46 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one is sourced from PubChem (CID 174474581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).