2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide

C13H23N3O2 — CID 66401085

IUPAC2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCOCCNCc1cccn1CC(=O)NC(C)C
InChIInChI=1S/C13H23N3O2/c1-11(2)15-13(17)10-16-7-4-5-12(16)9-14-6-8-18-3/h4-5,7,11,14H,6,8-10H2,1-3H3,(H,15,17)
InChIKeyYROFHSDJUZFMPF-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.75
Rot. Bonds8

About 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide

2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide (PubChem CID 66401085) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
PubChem CID66401085
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
SMILESCOCCNCc1cccn1CC(=O)NC(C)C
InChIInChI=1S/C13H23N3O2/c1-11(2)15-13(17)10-16-7-4-5-12(16)9-14-6-8-18-3/h4-5,7,11,14H,6,8-10H2,1-3H3,(H,15,17)
InChIKeyYROFHSDJUZFMPF-UHFFFAOYSA-N
XLogP0.75
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.75
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

2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 66402644
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66402639
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66402406
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66402553
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
2-(2-formylpyrrol-1-yl)-N-propan-2-ylacetamide
CID 66408770

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide (CID 66401085) is 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide is COCCNCc1cccn1CC(=O)NC(C)C.
What is the InChIKey of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YROFHSDJUZFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(2)15-13(17)10-16-7-4-5-12(16)9-14-6-8-18-3/h4-5,7,11,14H,6,8-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide?
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 253.35 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66401085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).