N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide

C14H27N3O2 — CID 46878311

IUPACN-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCN(C)CCCNC(=O)C1=CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C14H27N3O2/c1-13(2)10-11(14(3,4)17(13)19)12(18)15-8-7-9-16(5)6/h10,19H,7-9H2,1-6H3,(H,15,18)
InChIKeySNXNEIMYZBDZRX-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.24
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide

N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 46878311) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID46878311
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCN(C)CCCNC(=O)C1=CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C14H27N3O2/c1-13(2)10-11(14(3,4)17(13)19)12(18)15-8-7-9-16(5)6/h10,19H,7-9H2,1-6H3,(H,15,18)
InChIKeySNXNEIMYZBDZRX-UHFFFAOYSA-N
XLogP1.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 46878311) is N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide is CN(C)CCCNC(=O)C1=CC(C)(C)N(O)C1(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is SNXNEIMYZBDZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(2)10-11(14(3,4)17(13)19)12(18)15-8-7-9-16(5)6/h10,19H,7-9H2,1-6H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 46878311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).