ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide

C11H21N3O — CID 176932121

IUPACethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide
SMILESCC.CC(C)C(=O)NCc1cn(C)cn1
InChIInChI=1S/C9H15N3O.C2H6/c1-7(2)9(13)10-4-8-5-12(3)6-11-8;1-2/h5-7H,4H2,1-3H3,(H,10,13);1-2H3
InChIKeyWUQKPMJWUAPIKR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.72
Rot. Bonds3

About ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide

ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide (PubChem CID 176932121) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide
PubChem CID176932121
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Nameethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide
SMILESCC.CC(C)C(=O)NCc1cn(C)cn1
InChIInChI=1S/C9H15N3O.C2H6/c1-7(2)9(13)10-4-8-5-12(3)6-11-8;1-2/h5-7H,4H2,1-3H3,(H,10,13);1-2H3
InChIKeyWUQKPMJWUAPIKR-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide (CID 176932121) is ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide is CC.CC(C)C(=O)NCc1cn(C)cn1.
What is the InChIKey of ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide?
The InChIKey is WUQKPMJWUAPIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C2H6/c1-7(2)9(13)10-4-8-5-12(3)6-11-8;1-2/h5-7H,4H2,1-3H3,(H,10,13);1-2H3.
What are the key properties of ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide?
ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide has a molecular weight of 211.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide is sourced from PubChem (CID 176932121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).