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

C22H27ClN2O — CID 174474580

IUPAC6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride
SMILESCCc1ccccc1NCCCCCC(=O)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C22H26N2O.ClH/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;1H
InChIKeyRZRFWNHOXDJMAQ-UHFFFAOYSA-N
MW370.92 g/mol
LogP6.01
Rot. Bonds9

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

6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride (PubChem CID 174474580) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride.

Molecular Properties

Compound Name6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride
PubChem CID174474580
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride
SMILESCCc1ccccc1NCCCCCC(=O)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C22H26N2O.ClH/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;1H
InChIKeyRZRFWNHOXDJMAQ-UHFFFAOYSA-N
XLogP6.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 56.01
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
CID 174474581
2-amino-5-(1H-indol-3-yl)-2-methyl-5-oxopentanamide;hydrochloride
CID 174341226
1-(7-ethyl-1H-indol-3-yl)octan-1-one
CID 43339303
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
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
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
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;hydrochloride?
The IUPAC name of 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride (CID 174474580) is 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride.
What is the SMILES notation for 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride?
The canonical SMILES for 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride is CCc1ccccc1NCCCCCC(=O)c1c[nH]c2ccccc12.Cl.
What is the InChIKey of 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride?
The InChIKey is RZRFWNHOXDJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.ClH/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;1H.
What are the key properties of 6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride?
6-(2-ethylanilino)-1-(1H-indol-3-yl)hexan-1-one;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 6.01, 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;hydrochloride is sourced from PubChem (CID 174474580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).