N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide

C11H19N3O3 — CID 103614931

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C11H19N3O3/c1-10(7-14-4-3-12-9-14)13-11(15)8-17-6-5-16-2/h3-4,9-10H,5-8H2,1-2H3,(H,13,15)
InChIKeyNNEPVNOYZJSYDA-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.05
Rot. Bonds8

About N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide

N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103614931) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID103614931
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C11H19N3O3/c1-10(7-14-4-3-12-9-14)13-11(15)8-17-6-5-16-2/h3-4,9-10H,5-8H2,1-2H3,(H,13,15)
InChIKeyNNEPVNOYZJSYDA-UHFFFAOYSA-N
XLogP0.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 94683249
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide (CID 103614931) is N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is NNEPVNOYZJSYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-10(7-14-4-3-12-9-14)13-11(15)8-17-6-5-16-2/h3-4,9-10H,5-8H2,1-2H3,(H,13,15).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide?
N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 241.29 g/mol, XLogP of 0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103614931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).