N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

C12H20N2O3 — CID 62500385

IUPACN-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCCOCCO
InChIInChI=1S/C12H20N2O3/c1-10(2)14-6-3-4-11(14)12(16)13-5-8-17-9-7-15/h3-4,6,10,15H,5,7-9H2,1-2H3,(H,13,16)
InChIKeyPJGZIUMQEMWZLR-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.81
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 62500385) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID62500385
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NCCOCCO
InChIInChI=1S/C12H20N2O3/c1-10(2)14-6-3-4-11(14)12(16)13-5-8-17-9-7-15/h3-4,6,10,15H,5,7-9H2,1-2H3,(H,13,16)
InChIKeyPJGZIUMQEMWZLR-UHFFFAOYSA-N
XLogP0.81
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.81
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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Related Compounds

1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100628
N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61342881
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 66165599
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 136529784
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233452
3-methoxy-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 81076778
N-(2-hydroxyethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60962059
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43639218
N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 64794309

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 62500385) is N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is PJGZIUMQEMWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10(2)14-6-3-4-11(14)12(16)13-5-8-17-9-7-15/h3-4,6,10,15H,5,7-9H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62500385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).