N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide

C13H22N4O2 — CID 106720377

IUPACN-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide
SMILESCOCCNCc1cn(CC(=O)N(C)C2CC2)cn1
InChIInChI=1S/C13H22N4O2/c1-16(12-3-4-12)13(18)9-17-8-11(15-10-17)7-14-5-6-19-2/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyMAFCTAPCDUKEGK-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.24
Rot. Bonds8

About N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide

N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide (PubChem CID 106720377) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide
PubChem CID106720377
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide
SMILESCOCCNCc1cn(CC(=O)N(C)C2CC2)cn1
InChIInChI=1S/C13H22N4O2/c1-16(12-3-4-12)13(18)9-17-8-11(15-10-17)7-14-5-6-19-2/h8,10,12,14H,3-7,9H2,1-2H3
InChIKeyMAFCTAPCDUKEGK-UHFFFAOYSA-N
XLogP0.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.24
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 N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide (CID 106720377) is N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide is COCCNCc1cn(CC(=O)N(C)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide?
The InChIKey is MAFCTAPCDUKEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(12-3-4-12)13(18)9-17-8-11(15-10-17)7-14-5-6-19-2/h8,10,12,14H,3-7,9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide?
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 106720377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).