2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide

C12H21N3O2 — CID 66402644

IUPAC2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
SMILESCOCCNCc1cccn1CC(=O)N(C)C
InChIInChI=1S/C12H21N3O2/c1-14(2)12(16)10-15-7-4-5-11(15)9-13-6-8-17-3/h4-5,7,13H,6,8-10H2,1-3H3
InChIKeyGXAAGVNROUWIBY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.31
Rot. Bonds7

About 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide

2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide (PubChem CID 66402644) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
PubChem CID66402644
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
SMILESCOCCNCc1cccn1CC(=O)N(C)C
InChIInChI=1S/C12H21N3O2/c1-14(2)12(16)10-15-7-4-5-11(15)9-13-6-8-17-3/h4-5,7,13H,6,8-10H2,1-3H3
InChIKeyGXAAGVNROUWIBY-UHFFFAOYSA-N
XLogP0.31
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.31
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

2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 66146309
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66402639
N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 106717702
N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
CID 102940113
butyl 2-[2-(propylaminomethyl)pyrrol-1-yl]acetate
CID 66402177
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66403032
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide (CID 66402644) is 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide is COCCNCc1cccn1CC(=O)N(C)C.
What is the InChIKey of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide?
The InChIKey is GXAAGVNROUWIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14(2)12(16)10-15-7-4-5-11(15)9-13-6-8-17-3/h4-5,7,13H,6,8-10H2,1-3H3.
What are the key properties of 2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide?
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.31, 7 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 66402644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).