2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide

C12H22N4O2 — CID 66146107

IUPAC2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOCCNCc1cncn1CC(=O)NC(C)C
InChIInChI=1S/C12H22N4O2/c1-10(2)15-12(17)8-16-9-14-7-11(16)6-13-4-5-18-3/h7,9-10,13H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyAZLOTNDMVLHSRY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.14
Rot. Bonds8

About 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide

2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 66146107) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID66146107
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOCCNCc1cncn1CC(=O)NC(C)C
InChIInChI=1S/C12H22N4O2/c1-10(2)15-12(17)8-16-9-14-7-11(16)6-13-4-5-18-3/h7,9-10,13H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyAZLOTNDMVLHSRY-UHFFFAOYSA-N
XLogP0.14
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146321
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 66146309
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146106
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
N-cyclopropyl-4-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanamide
CID 79400872
2-methoxy-N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66151760
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 66146107) is 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide is COCCNCc1cncn1CC(=O)NC(C)C.
What is the InChIKey of 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is AZLOTNDMVLHSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(2)15-12(17)8-16-9-14-7-11(16)6-13-4-5-18-3/h7,9-10,13H,4-6,8H2,1-3H3,(H,15,17).
What are the key properties of 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 254.33 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66146107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).