N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride

C23H39ClN2O — CID 44578652

IUPACN-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCCCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21.Cl
InChIInChI=1S/C23H38N2O.ClH/c1-7-8-9-10-11-12-14-25-15-13-19-17(2)16-18(3)20(21(19)25)24-22(26)23(4,5)6;/h16H,7-15H2,1-6H3,(H,24,26);1H
InChIKeyCLOKNARIDIKWKU-UHFFFAOYSA-N
MW395.03 g/mol
LogP6.43
Rot. Bonds8

About N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride

N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 44578652) has the molecular formula C23H39ClN2O and a molecular weight of 395.03 g/mol. Its IUPAC name is N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID44578652
Molecular FormulaC23H39ClN2O
Molecular Weight395.03 g/mol
Exact Mass394.28
IUPAC NameN-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCCCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21.Cl
InChIInChI=1S/C23H38N2O.ClH/c1-7-8-9-10-11-12-14-25-15-13-19-17(2)16-18(3)20(21(19)25)24-22(26)23(4,5)6;/h16H,7-15H2,1-6H3,(H,24,26);1H
InChIKeyCLOKNARIDIKWKU-UHFFFAOYSA-N
XLogP6.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.03
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride (CID 44578652) is N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride is CCCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)(C)C)c21.Cl.
What is the InChIKey of N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is CLOKNARIDIKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O.ClH/c1-7-8-9-10-11-12-14-25-15-13-19-17(2)16-18(3)20(21(19)25)24-22(26)23(4,5)6;/h16H,7-15H2,1-6H3,(H,24,26);1H.
What are the key properties of N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride?
N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 395.03 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 44578652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).