N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide

C16H21N3O3 — CID 24761518

IUPACN-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
SMILESCOCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C16H21N3O3/c1-22-12-10-17-15(20)9-11-19-16(21)8-7-14(18-19)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,20)
InChIKeyJVDCDNGDFHYRBG-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.17
Rot. Bonds7

About N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide

N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide (PubChem CID 24761518) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
PubChem CID24761518
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
SMILESCOCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C16H21N3O3/c1-22-12-10-17-15(20)9-11-19-16(21)8-7-14(18-19)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,20)
InChIKeyJVDCDNGDFHYRBG-UHFFFAOYSA-N
XLogP1.17
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide (CID 24761518) is N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide is COCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O.
What is the InChIKey of N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
The InChIKey is JVDCDNGDFHYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-22-12-10-17-15(20)9-11-19-16(21)8-7-14(18-19)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide?
N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide has a molecular weight of 303.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide is sourced from PubChem (CID 24761518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).