2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide

C13H22N2O3 — CID 79097953

IUPAC2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C13H22N2O3/c1-10(2)13(17)11-4-6-15(8-11)9-12(16)14-5-7-18-3/h4,6,8,10,13,17H,5,7,9H2,1-3H3,(H,14,16)
InChIKeyFHKWZRWJIYGHFN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds7

About 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide

2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 79097953) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID79097953
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C13H22N2O3/c1-10(2)13(17)11-4-6-15(8-11)9-12(16)14-5-7-18-3/h4,6,8,10,13,17H,5,7,9H2,1-3H3,(H,14,16)
InChIKeyFHKWZRWJIYGHFN-UHFFFAOYSA-N
XLogP0.94
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
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

N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591
methyl 3-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]propanoate
CID 79097942
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099198
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79107389
N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79097898
N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102745
2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
CID 79097185
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide (CID 79097953) is 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1ccc(C(O)C(C)C)c1.
What is the InChIKey of 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is FHKWZRWJIYGHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)13(17)11-4-6-15(8-11)9-12(16)14-5-7-18-3/h4,6,8,10,13,17H,5,7,9H2,1-3H3,(H,14,16).
What are the key properties of 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 79097953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).