2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide

C13H24N4O3 — CID 106720364

IUPAC2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cnc(CNCCOC)c1
InChIInChI=1S/C13H24N4O3/c1-19-6-3-4-15-13(18)10-17-9-12(16-11-17)8-14-5-7-20-2/h9,11,14H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyYWQXCNQKTOUXEF-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.23
Rot. Bonds11

About 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 106720364) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID106720364
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cn1cnc(CNCCOC)c1
InChIInChI=1S/C13H24N4O3/c1-19-6-3-4-15-13(18)10-17-9-12(16-11-17)8-14-5-7-20-2/h9,11,14H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyYWQXCNQKTOUXEF-UHFFFAOYSA-N
XLogP-0.23
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510
methyl 4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanoate
CID 106720528
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide
CID 106720377
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370
N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719404
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
methyl 2-[4-(propylaminomethyl)imidazol-1-yl]acetate
CID 106719124
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide (CID 106720364) is 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cn1cnc(CNCCOC)c1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is YWQXCNQKTOUXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-19-6-3-4-15-13(18)10-17-9-12(16-11-17)8-14-5-7-20-2/h9,11,14H,3-8,10H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of -0.23, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 106720364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).