2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide

C13H23N3O3 — CID 118787632

IUPAC2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
SMILESCOCCOCC(=O)NC(c1nccn1C)C(C)C
InChIInChI=1S/C13H23N3O3/c1-10(2)12(13-14-5-6-16(13)3)15-11(17)9-19-8-7-18-4/h5-6,10,12H,7-9H2,1-4H3,(H,15,17)
InChIKeyMRAFOZOCVHVVAS-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.90
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide

2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide (PubChem CID 118787632) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
PubChem CID118787632
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
SMILESCOCCOCC(=O)NC(c1nccn1C)C(C)C
InChIInChI=1S/C13H23N3O3/c1-10(2)12(13-14-5-6-16(13)3)15-11(17)9-19-8-7-18-4/h5-6,10,12H,7-9H2,1-4H3,(H,15,17)
InChIKeyMRAFOZOCVHVVAS-UHFFFAOYSA-N
XLogP0.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125164841
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
CID 125448282
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125436681
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 122558009
2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 125446155
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849944
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849945
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 125437179
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 91790838

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide (CID 118787632) is 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide is COCCOCC(=O)NC(c1nccn1C)C(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The InChIKey is MRAFOZOCVHVVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(2)12(13-14-5-6-16(13)3)15-11(17)9-19-8-7-18-4/h5-6,10,12H,7-9H2,1-4H3,(H,15,17).
What are the key properties of 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 118787632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).