2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide

C17H28N4O — CID 24845292

IUPAC2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCNCc2ccc[nH]2)C(C)(C)N1
InChIInChI=1S/C17H28N4O/c1-16(2)11-14(17(3,4)21-16)15(22)20-10-6-8-18-12-13-7-5-9-19-13/h5,7,9,11,18-19,21H,6,8,10,12H2,1-4H3,(H,20,22)
InChIKeyBIPYDKZHDAZJOB-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.70
Rot. Bonds7

About 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide

2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide (PubChem CID 24845292) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
PubChem CID24845292
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NCCCNCc2ccc[nH]2)C(C)(C)N1
InChIInChI=1S/C17H28N4O/c1-16(2)11-14(17(3,4)21-16)15(22)20-10-6-8-18-12-13-7-5-9-19-13/h5,7,9,11,18-19,21H,6,8,10,12H2,1-4H3,(H,20,22)
InChIKeyBIPYDKZHDAZJOB-UHFFFAOYSA-N
XLogP1.70
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.70
H-Bond Donors ≤ 54
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 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide (CID 24845292) is 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide is CC1(C)C=C(C(=O)NCCCNCc2ccc[nH]2)C(C)(C)N1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is BIPYDKZHDAZJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-16(2)11-14(17(3,4)21-16)15(22)20-10-6-8-18-12-13-7-5-9-19-13/h5,7,9,11,18-19,21H,6,8,10,12H2,1-4H3,(H,20,22).
What are the key properties of 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide?
2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24845292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).