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

C14H24N4O3 — CID 66400704

IUPAC2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide
SMILESCOCCNCc1nccn1CC(=O)NC1CCOCC1
InChIInChI=1S/C14H24N4O3/c1-20-9-5-15-10-13-16-4-6-18(13)11-14(19)17-12-2-7-21-8-3-12/h4,6,12,15H,2-3,5,7-11H2,1H3,(H,17,19)
InChIKeyXUXQDWIXOKFBEK-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.09
Rot. Bonds8

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

2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 66400704) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID66400704
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide
SMILESCOCCNCc1nccn1CC(=O)NC1CCOCC1
InChIInChI=1S/C14H24N4O3/c1-20-9-5-15-10-13-16-4-6-18(13)11-14(19)17-12-2-7-21-8-3-12/h4,6,12,15H,2-3,5,7-11H2,1H3,(H,17,19)
InChIKeyXUXQDWIXOKFBEK-UHFFFAOYSA-N
XLogP-0.09
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.09
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

2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 66402639
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
CID 114561538
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 62221114
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
CID 62221110
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate
CID 105421747

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide (CID 66400704) is 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide is COCCNCc1nccn1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is XUXQDWIXOKFBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-20-9-5-15-10-13-16-4-6-18(13)11-14(19)17-12-2-7-21-8-3-12/h4,6,12,15H,2-3,5,7-11H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide?
2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66400704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).