N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide

C13H20N2O3 — CID 79099198

IUPACN-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
SMILESCCC(=O)c1ccn(CC(=O)NCCCOC)c1
InChIInChI=1S/C13H20N2O3/c1-3-12(16)11-5-7-15(9-11)10-13(17)14-6-4-8-18-2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,14,17)
InChIKeyWYSLZXLAFUSGPG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.23
Rot. Bonds8

About N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide

N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide (PubChem CID 79099198) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
PubChem CID79099198
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
SMILESCCC(=O)c1ccn(CC(=O)NCCCOC)c1
InChIInChI=1S/C13H20N2O3/c1-3-12(16)11-5-7-15(9-11)10-13(17)14-6-4-8-18-2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,14,17)
InChIKeyWYSLZXLAFUSGPG-UHFFFAOYSA-N
XLogP1.23
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814
1-[2-(butylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103342
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
CID 79097953
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
1-[1-(2-methylprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79098631
N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622294
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
N-butyl-2-(3-formylpyrrol-1-yl)acetamide
CID 66409664

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide (CID 79099198) is N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide is CCC(=O)c1ccn(CC(=O)NCCCOC)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide?
The InChIKey is WYSLZXLAFUSGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-12(16)11-5-7-15(9-11)10-13(17)14-6-4-8-18-2/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,14,17).
What are the key properties of N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide?
N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide is sourced from PubChem (CID 79099198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).