2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide

C12H20N2O2 — CID 79106315

IUPAC2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cccc1C(C)O
InChIInChI=1S/C12H20N2O2/c1-9(2)7-13-12(16)8-14-6-4-5-11(14)10(3)15/h4-6,9-10,15H,7-8H2,1-3H3,(H,13,16)
InChIKeyNYNLDHPBJOIJMK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.31
Rot. Bonds5

About 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide

2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 79106315) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID79106315
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cccc1C(C)O
InChIInChI=1S/C12H20N2O2/c1-9(2)7-13-12(16)8-14-6-4-5-11(14)10(3)15/h4-6,9-10,15H,7-8H2,1-3H3,(H,13,16)
InChIKeyNYNLDHPBJOIJMK-UHFFFAOYSA-N
XLogP1.31
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
CID 62101797
2-(2-cyanopyrrol-1-yl)-N-(2-methylpropyl)acetamide
CID 114652625
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66402131
N-(4-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79106625
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 79106416
N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646877
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82901827
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide
CID 79102321
N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102745
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide (CID 79106315) is 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1cccc1C(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is NYNLDHPBJOIJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)7-13-12(16)8-14-6-4-5-11(14)10(3)15/h4-6,9-10,15H,7-8H2,1-3H3,(H,13,16).
What are the key properties of 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide?
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 224.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 79106315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).