N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide

C10H18N3O2+ — CID 61446685

IUPACN-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide
SMILESCCN(CCOC)C(=O)n1cc[n+](C)c1
InChIInChI=1S/C10H18N3O2/c1-4-12(7-8-15-3)10(14)13-6-5-11(2)9-13/h5-6,9H,4,7-8H2,1-3H3/q+1
InChIKeyREAREEDMFGSVPU-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.25
Rot. Bonds4

About N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide

N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide (PubChem CID 61446685) has the molecular formula C10H18N3O2+ and a molecular weight of 212.27 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide
PubChem CID61446685
Molecular FormulaC10H18N3O2+
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC NameN-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide
SMILESCCN(CCOC)C(=O)n1cc[n+](C)c1
InChIInChI=1S/C10H18N3O2/c1-4-12(7-8-15-3)10(14)13-6-5-11(2)9-13/h5-6,9H,4,7-8H2,1-3H3/q+1
InChIKeyREAREEDMFGSVPU-UHFFFAOYSA-N
XLogP0.25
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazol-3-ium-1-carboxamide iodide
CID 55008679
butane;[2-(hydroxymethyl)-4-[2-[(3-methylimidazol-3-ium-1-carbonyl)-[2-[3-(nonanoyloxymethyl)-4-propanoyloxybutanoyl]oxyethyl]amino]ethoxy]-4-oxobutyl] nonanoate
CID 169233820
1-ethyl-1-(2-methoxyethyl)-3,3-dimethylurea
CID 115590966
2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61447579
2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618832
2-methoxyethyl 2-(3-methylimidazol-3-ium-1-yl)acetate bromide
CID 87367258
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
(E)-N-ethyl-N-(2-methoxyethyl)but-2-en-2-amine
CID 138661036
2-[1-[ethyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658693
[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-3-ium-1-yl)methanone
CID 64599444

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide (CID 61446685) is N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide is CCN(CCOC)C(=O)n1cc[n+](C)c1.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide?
The InChIKey is REAREEDMFGSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O2/c1-4-12(7-8-15-3)10(14)13-6-5-11(2)9-13/h5-6,9H,4,7-8H2,1-3H3/q+1.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide?
N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-3-methylimidazol-3-ium-1-carboxamide is sourced from PubChem (CID 61446685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).