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

C19H30ClN3O — CID 24845391

IUPACN-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCCNCc2ccccc2Cl)C(C)(C)N1
InChIInChI=1S/C19H30ClN3O/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)
InChIKeyOZEWZMGIBSITAA-UHFFFAOYSA-N
MW351.92 g/mol
LogP3.10
Rot. Bonds7

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

N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (PubChem CID 24845391) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
PubChem CID24845391
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC NameN-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCCNCc2ccccc2Cl)C(C)(C)N1
InChIInChI=1S/C19H30ClN3O/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)
InChIKeyOZEWZMGIBSITAA-UHFFFAOYSA-N
XLogP3.10
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 53.10
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?
The IUPAC name of N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (CID 24845391) is N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is CC1(C)CC(C(=O)NCCCNCc2ccccc2Cl)C(C)(C)N1.
What is the InChIKey of N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The InChIKey is OZEWZMGIBSITAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O/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).
What are the key properties of N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide has a molecular weight of 351.92 g/mol, XLogP of 3.10, 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 is sourced from PubChem (CID 24845391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).