N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide

C11H19N3O3 — CID 107972296

IUPACN-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
SMILESCCOC(CNC(=O)c1cn(C)cn1)OCC
InChIInChI=1S/C11H19N3O3/c1-4-16-10(17-5-2)6-12-11(15)9-7-14(3)8-13-9/h7-8,10H,4-6H2,1-3H3,(H,12,15)
InChIKeyJFTFVHWTTZDSTG-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.55
Rot. Bonds7

About N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide

N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide (PubChem CID 107972296) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
PubChem CID107972296
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
SMILESCCOC(CNC(=O)c1cn(C)cn1)OCC
InChIInChI=1S/C11H19N3O3/c1-4-16-10(17-5-2)6-12-11(15)9-7-14(3)8-13-9/h7-8,10H,4-6H2,1-3H3,(H,12,15)
InChIKeyJFTFVHWTTZDSTG-UHFFFAOYSA-N
XLogP0.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
CID 103860044
N-(2,2-diethoxyethyl)pyrazine-2-carboxamide
CID 103602082
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
1-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]imidazole-4-carboxamide
CID 97020056
N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79547185
N-[2-(2-hydroxypropylamino)ethyl]-1-methylimidazole-4-carboxamide
CID 107973596
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide
CID 107973594
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 79548056
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-methylimidazole-4-carboxamide
CID 107975383

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide (CID 107972296) is N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide is CCOC(CNC(=O)c1cn(C)cn1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide?
The InChIKey is JFTFVHWTTZDSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-16-10(17-5-2)6-12-11(15)9-7-14(3)8-13-9/h7-8,10H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide?
N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107972296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).