2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide

C11H20N4O2 — CID 66146309

IUPAC2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
SMILESCOCCNCc1cncn1CC(=O)N(C)C
InChIInChI=1S/C11H20N4O2/c1-14(2)11(16)8-15-9-13-7-10(15)6-12-4-5-17-3/h7,9,12H,4-6,8H2,1-3H3
InChIKeyMHQNAFBXXXTGNA-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.29
Rot. Bonds7

About 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide

2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide (PubChem CID 66146309) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
PubChem CID66146309
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
SMILESCOCCNCc1cncn1CC(=O)N(C)C
InChIInChI=1S/C11H20N4O2/c1-14(2)11(16)8-15-9-13-7-10(15)6-12-4-5-17-3/h7,9,12H,4-6,8H2,1-3H3
InChIKeyMHQNAFBXXXTGNA-UHFFFAOYSA-N
XLogP-0.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.29
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide (CID 66146309) is 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide is COCCNCc1cncn1CC(=O)N(C)C.
What is the InChIKey of 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is MHQNAFBXXXTGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-14(2)11(16)8-15-9-13-7-10(15)6-12-4-5-17-3/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide?
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 240.31 g/mol, XLogP of -0.29, 7 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 66146309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).