N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide

C13H22N2O2 — CID 43639218

IUPACN-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cccn1C(C)C
InChIInChI=1S/C13H22N2O2/c1-10(2)14-7-5-6-12(14)13(17)15(8-9-16)11(3)4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyQGSFOQKBWUWSBK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.91
Rot. Bonds5

About N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide

N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide (PubChem CID 43639218) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
PubChem CID43639218
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cccn1C(C)C
InChIInChI=1S/C13H22N2O2/c1-10(2)14-7-5-6-12(14)13(17)15(8-9-16)11(3)4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyQGSFOQKBWUWSBK-UHFFFAOYSA-N
XLogP1.91
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233452
N-(2-hydroxyethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60962059
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
2-[2-methylpropyl-(1-propan-2-ylpyrrole-2-carbonyl)amino]acetic acid
CID 63070679
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 64512089
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 91829010
2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43608029
N-(2-hydroxyethyl)-3-phenyl-N-propan-2-ylimidazole-4-carboxamide
CID 43573803
4-oxo-4-(1-propan-2-ylpyrrol-2-yl)butanoic acid
CID 84734291
N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 64794309

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide (CID 43639218) is N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide is CC(C)N(CCO)C(=O)c1cccn1C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide?
The InChIKey is QGSFOQKBWUWSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)14-7-5-6-12(14)13(17)15(8-9-16)11(3)4/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide?
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43639218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).