2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide

C12H20N2O2 — CID 110688767

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1c(C)ccc1C
InChIInChI=1S/C12H20N2O2/c1-10-5-6-11(2)14(10)9-12(15)13-7-4-8-16-3/h5-6H,4,7-9H2,1-3H3,(H,13,15)
InChIKeyGFCZOCOKSCEWKL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.26
Rot. Bonds6

About 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide

2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 110688767) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID110688767
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1c(C)ccc1C
InChIInChI=1S/C12H20N2O2/c1-10-5-6-11(2)14(10)9-12(15)13-7-4-8-16-3/h5-6H,4,7-9H2,1-3H3,(H,13,15)
InChIKeyGFCZOCOKSCEWKL-UHFFFAOYSA-N
XLogP1.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 137320602
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82064697
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
CID 79099906
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylpyrrole-3-carboxylic acid
CID 114189448
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
N-(3-methoxypropyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3153885

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide (CID 110688767) is 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1c(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is GFCZOCOKSCEWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-5-6-11(2)14(10)9-12(15)13-7-4-8-16-3/h5-6H,4,7-9H2,1-3H3,(H,13,15).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide?
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 224.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110688767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).