2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide

C12H21N3O3 — CID 91790838

IUPAC2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
SMILESCOCCOCC(=O)NCc1nccn1C(C)C
InChIInChI=1S/C12H21N3O3/c1-10(2)15-5-4-13-11(15)8-14-12(16)9-18-7-6-17-3/h4-5,10H,6-9H2,1-3H3,(H,14,16)
InChIKeyAQQGAOYLEAGKFH-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.74
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide

2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide (PubChem CID 91790838) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
PubChem CID91790838
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
SMILESCOCCOCC(=O)NCc1nccn1C(C)C
InChIInChI=1S/C12H21N3O3/c1-10(2)15-5-4-13-11(15)8-14-12(16)9-18-7-6-17-3/h4-5,10H,6-9H2,1-3H3,(H,14,16)
InChIKeyAQQGAOYLEAGKFH-UHFFFAOYSA-N
XLogP0.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.74
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-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 125438130
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 122564351
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 136662014
2-amino-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122557442
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103721962
2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122563881
trimethoxy-[3-(1-propan-2-ylimidazol-2-yl)propyl]silane
CID 69231533
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 114115113
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide (CID 91790838) is 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide is COCCOCC(=O)NCc1nccn1C(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
The InChIKey is AQQGAOYLEAGKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-10(2)15-5-4-13-11(15)8-14-12(16)9-18-7-6-17-3/h4-5,10H,6-9H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 0.74, 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-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 91790838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).