N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide

C11H19N3O2 — CID 103803952

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cn(C)cn1
InChIInChI=1S/C11H19N3O2/c1-5-14(7-11(2,3)16)10(15)9-6-13(4)8-12-9/h6,8,16H,5,7H2,1-4H3
InChIKeyFTICAWJFTNZVQW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.65
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide (PubChem CID 103803952) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide
PubChem CID103803952
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cn(C)cn1
InChIInChI=1S/C11H19N3O2/c1-5-14(7-11(2,3)16)10(15)9-6-13(4)8-12-9/h6,8,16H,5,7H2,1-4H3
InChIKeyFTICAWJFTNZVQW-UHFFFAOYSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide
CID 107973093
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylimidazole-4-carboxamide
CID 107975497
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
N-(2-aminoethyl)-N-(2-methoxyethyl)-1-methylimidazole-4-carboxamide
CID 107975606
N-ethyl-5-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyrazine-2-carboxamide
CID 107376148
5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79384484
6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 79385788
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79386284
methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate
CID 103858595
N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
CID 111596473
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide (CID 103803952) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide is CCN(CC(C)(C)O)C(=O)c1cn(C)cn1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide?
The InChIKey is FTICAWJFTNZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14(7-11(2,3)16)10(15)9-6-13(4)8-12-9/h6,8,16H,5,7H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103803952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).