2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide

C11H18N2O3 — CID 103721962

IUPAC2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCOCCOCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C11H18N2O3/c1-13-4-3-10(8-13)7-12-11(14)9-16-6-5-15-2/h3-4,8H,5-7,9H2,1-2H3,(H,12,14)
InChIKeyUWLIFAVIKRPACF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.30
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide

2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide (PubChem CID 103721962) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
PubChem CID103721962
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCOCCOCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C11H18N2O3/c1-13-4-3-10(8-13)7-12-11(14)9-16-6-5-15-2/h3-4,8H,5-7,9H2,1-2H3,(H,12,14)
InChIKeyUWLIFAVIKRPACF-UHFFFAOYSA-N
XLogP0.30
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.30
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-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
3-(2-methoxyethyl)-1-methylpyrrole
CID 143232887
1-(3-methoxypropyl)-3-[(1-methylpyrrol-3-yl)methyl]thiourea
CID 103723905
N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106390836
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide (CID 103721962) is 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide is COCCOCC(=O)NCc1ccn(C)c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The InChIKey is UWLIFAVIKRPACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13-4-3-10(8-13)7-12-11(14)9-16-6-5-15-2/h3-4,8H,5-7,9H2,1-2H3,(H,12,14).
What are the key properties of 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide has a molecular weight of 226.28 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide is sourced from PubChem (CID 103721962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).