N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide

C13H24N2O2 — CID 71048054

IUPACN,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C13H24N2O2/c1-7-14(8-2)11(16)10-9-12(3,4)15(17)13(10,5)6/h9,17H,7-8H2,1-6H3
InChIKeyKWEAJKSGCZMSEU-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.04
Rot. Bonds3

About N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide

N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 71048054) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID71048054
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCCN(CC)C(=O)C1=CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C13H24N2O2/c1-7-14(8-2)11(16)10-9-12(3,4)15(17)13(10,5)6/h9,17H,7-8H2,1-6H3
InChIKeyKWEAJKSGCZMSEU-UHFFFAOYSA-N
XLogP2.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 71048054) is N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide is CCN(CC)C(=O)C1=CC(C)(C)N(O)C1(C)C.
What is the InChIKey of N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is KWEAJKSGCZMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-7-14(8-2)11(16)10-9-12(3,4)15(17)13(10,5)6/h9,17H,7-8H2,1-6H3.
What are the key properties of N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide?
N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 71048054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).