N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide

C11H17N3O2 — CID 145096976

IUPACN-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide
SMILESC=c1nc(C)n(CC(=O)NCCOC)c1=C
InChIInChI=1S/C11H17N3O2/c1-8-9(2)14(10(3)13-8)7-11(15)12-5-6-16-4/h1-2,5-7H2,3-4H3,(H,12,15)
InChIKeyRYBJVMLCQNVWJC-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.23
Rot. Bonds5

About N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide

N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide (PubChem CID 145096976) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide
PubChem CID145096976
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide
SMILESC=c1nc(C)n(CC(=O)NCCOC)c1=C
InChIInChI=1S/C11H17N3O2/c1-8-9(2)14(10(3)13-8)7-11(15)12-5-6-16-4/h1-2,5-7H2,3-4H3,(H,12,15)
InChIKeyRYBJVMLCQNVWJC-UHFFFAOYSA-N
XLogP-1.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide (CID 145096976) is N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide is C=c1nc(C)n(CC(=O)NCCOC)c1=C.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide?
The InChIKey is RYBJVMLCQNVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-9(2)14(10(3)13-8)7-11(15)12-5-6-16-4/h1-2,5-7H2,3-4H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide?
N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide is sourced from PubChem (CID 145096976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).