[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C15H17N3O5 — CID 8522233

IUPAC[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C(COC(=O)C1=NNC(=O)CC1)NCCOc1ccccc1
InChIInChI=1S/C15H17N3O5/c19-13-7-6-12(17-18-13)15(21)23-10-14(20)16-8-9-22-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,20)(H,18,19)
InChIKeyBLPCQPBSZKZHMT-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.01
Rot. Bonds7

About [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 8522233) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID8522233
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESO=C(COC(=O)C1=NNC(=O)CC1)NCCOc1ccccc1
InChIInChI=1S/C15H17N3O5/c19-13-7-6-12(17-18-13)15(21)23-10-14(20)16-8-9-22-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,20)(H,18,19)
InChIKeyBLPCQPBSZKZHMT-UHFFFAOYSA-N
XLogP-0.01
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate with MolForge

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Related Compounds

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7486978
[2-(ethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 3613674
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5029985
[2-(2,6-dimethylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7203173
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate
CID 8534586
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 8607464
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5166441
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-fluoro-4-methylbenzoate
CID 9386992
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-cyanobenzoate
CID 18193603
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520239
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728487
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 4545690

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 8522233) is [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is O=C(COC(=O)C1=NNC(=O)CC1)NCCOc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is BLPCQPBSZKZHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c19-13-7-6-12(17-18-13)15(21)23-10-14(20)16-8-9-22-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,20)(H,18,19).
What are the key properties of [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 319.32 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyethylamino)ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 8522233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).