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

C12H19N3O2 — CID 145096970

IUPACN-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide
SMILESC=c1nc(C)n(CC(=O)N(C)CCOC)c1=C
InChIInChI=1S/C12H19N3O2/c1-9-10(2)15(11(3)13-9)8-12(16)14(4)6-7-17-5/h1-2,6-8H2,3-5H3
InChIKeyWXSPTIJXJFPCFO-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.88
Rot. Bonds5

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

N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide (PubChem CID 145096970) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide
PubChem CID145096970
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide
SMILESC=c1nc(C)n(CC(=O)N(C)CCOC)c1=C
InChIInChI=1S/C12H19N3O2/c1-9-10(2)15(11(3)13-9)8-12(16)14(4)6-7-17-5/h1-2,6-8H2,3-5H3
InChIKeyWXSPTIJXJFPCFO-UHFFFAOYSA-N
XLogP-0.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide (CID 145096970) is N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide is C=c1nc(C)n(CC(=O)N(C)CCOC)c1=C.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide?
The InChIKey is WXSPTIJXJFPCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-10(2)15(11(3)13-9)8-12(16)14(4)6-7-17-5/h1-2,6-8H2,3-5H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide?
N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of -0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2-(2-methyl-4,5-dimethylideneimidazol-1-yl)acetamide is sourced from PubChem (CID 145096970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).