4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide

C15H20BrN3O3 — CID 100820914

IUPAC4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCOc1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C15H20BrN3O3/c1-19-13-6-5-11(16)10-12(13)15(18-19)22-8-3-4-14(20)17-7-9-21-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,20)
InChIKeyIAAOOQRSTUOZKI-UHFFFAOYSA-N
MW370.25 g/mol
LogP2.26
Rot. Bonds8

About 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide

4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide (PubChem CID 100820914) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
PubChem CID100820914
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCOc1nn(C)c2ccc(Br)cc12
InChIInChI=1S/C15H20BrN3O3/c1-19-13-6-5-11(16)10-12(13)15(18-19)22-8-3-4-14(20)17-7-9-21-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,20)
InChIKeyIAAOOQRSTUOZKI-UHFFFAOYSA-N
XLogP2.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 52.26
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

2-(5-bromo-1-methylindazol-3-yl)oxy-N-butylacetamide
CID 100816479
2-(5-bromo-1-methylindazol-3-yl)oxy-N-prop-2-enylacetamide
CID 100829453
3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide
CID 100820954
5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
CID 172654547
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate
CID 129278070
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone
CID 112757846
5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
CID 171512307
2-[5-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 50895879
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide?
The IUPAC name of 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide (CID 100820914) is 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide is COCCNC(=O)CCCOc1nn(C)c2ccc(Br)cc12.
What is the InChIKey of 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide?
The InChIKey is IAAOOQRSTUOZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-19-13-6-5-11(16)10-12(13)15(18-19)22-8-3-4-14(20)17-7-9-21-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,20).
What are the key properties of 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide?
4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide has a molecular weight of 370.25 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 100820914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).