N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide

C15H19N3O3 — CID 22510152

IUPACN-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide
SMILESCOCCNC(=O)CCC(=O)n1ncc2cc(C)ccc21
InChIInChI=1S/C15H19N3O3/c1-11-3-4-13-12(9-11)10-17-18(13)15(20)6-5-14(19)16-7-8-21-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)
InChIKeyVITGXOAYVSSSDA-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.53
Rot. Bonds6

About N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide

N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide (PubChem CID 22510152) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide
PubChem CID22510152
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide
SMILESCOCCNC(=O)CCC(=O)n1ncc2cc(C)ccc21
InChIInChI=1S/C15H19N3O3/c1-11-3-4-13-12(9-11)10-17-18(13)15(20)6-5-14(19)16-7-8-21-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)
InChIKeyVITGXOAYVSSSDA-UHFFFAOYSA-N
XLogP1.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.53
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

N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
CID 22510255
N-(3-methoxypropyl)-2-(6-methylindazol-1-yl)acetamide
CID 22509905
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
methyl 2-(5-methylindazol-1-yl)acetate
CID 13337773
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
N-(2-methoxyethyl)-3-(5-methylpyrazol-1-yl)propanamide
CID 19569997
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 79142889
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide (CID 22510152) is N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide is COCCNC(=O)CCC(=O)n1ncc2cc(C)ccc21.
What is the InChIKey of N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The InChIKey is VITGXOAYVSSSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-3-4-13-12(9-11)10-17-18(13)15(20)6-5-14(19)16-7-8-21-2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide?
N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide has a molecular weight of 289.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 22510152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).