N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride

C19H32Cl3N3O — CID 24845390

IUPACN-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1(C)CC(C(=O)NCCCNCc2ccccc2Cl)C(C)(C)N1.Cl.Cl
InChIInChI=1S/C19H30ClN3O.2ClH/c1-18(2)12-15(19(3,4)23-18)17(24)22-11-7-10-21-13-14-8-5-6-9-16(14)20;;/h5-6,8-9,15,21,23H,7,10-13H2,1-4H3,(H,22,24);2*1H
InChIKeyPTERDSQMONYOSK-UHFFFAOYSA-N
MW424.84 g/mol
LogP3.95
Rot. Bonds7

About N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride

N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 24845390) has the molecular formula C19H32Cl3N3O and a molecular weight of 424.84 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride
PubChem CID24845390
Molecular FormulaC19H32Cl3N3O
Molecular Weight424.84 g/mol
Exact Mass423.16
IUPAC NameN-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCC1(C)CC(C(=O)NCCCNCc2ccccc2Cl)C(C)(C)N1.Cl.Cl
InChIInChI=1S/C19H30ClN3O.2ClH/c1-18(2)12-15(19(3,4)23-18)17(24)22-11-7-10-21-13-14-8-5-6-9-16(14)20;;/h5-6,8-9,15,21,23H,7,10-13H2,1-4H3,(H,22,24);2*1H
InChIKeyPTERDSQMONYOSK-UHFFFAOYSA-N
XLogP3.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride (CID 24845390) is N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride is CC1(C)CC(C(=O)NCCCNCc2ccccc2Cl)C(C)(C)N1.Cl.Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is PTERDSQMONYOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O.2ClH/c1-18(2)12-15(19(3,4)23-18)17(24)22-11-7-10-21-13-14-8-5-6-9-16(14)20;;/h5-6,8-9,15,21,23H,7,10-13H2,1-4H3,(H,22,24);2*1H.
What are the key properties of N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride?
N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 424.84 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 24845390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).