N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide

C12H21N3O2 — CID 66406838

IUPACN-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
SMILESCCNC(=O)Cn1ccc(CNCCOC)c1
InChIInChI=1S/C12H21N3O2/c1-3-14-12(16)10-15-6-4-11(9-15)8-13-5-7-17-2/h4,6,9,13H,3,5,7-8,10H2,1-2H3,(H,14,16)
InChIKeyKEFGNFFQAOEBQB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.36
Rot. Bonds8

About N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide

N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide (PubChem CID 66406838) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
PubChem CID66406838
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
SMILESCCNC(=O)Cn1ccc(CNCCOC)c1
InChIInChI=1S/C12H21N3O2/c1-3-14-12(16)10-15-6-4-11(9-15)8-13-5-7-17-2/h4,6,9,13H,3,5,7-8,10H2,1-2H3,(H,14,16)
InChIKeyKEFGNFFQAOEBQB-UHFFFAOYSA-N
XLogP0.36
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.36
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-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-pentan-3-ylacetamide
CID 66404406
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66405734
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66406741
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
CID 79097953
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide (CID 66406838) is N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide is CCNC(=O)Cn1ccc(CNCCOC)c1.
What is the InChIKey of N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide?
The InChIKey is KEFGNFFQAOEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-14-12(16)10-15-6-4-11(9-15)8-13-5-7-17-2/h4,6,9,13H,3,5,7-8,10H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide?
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 66406838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).