2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one

C20H25N3O4 — CID 20968350

IUPAC2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C2=NN(CC(=O)N3CCC4(CC3)OCCO4)C(=O)CC2)cc1
InChIInChI=1S/C20H25N3O4/c1-15-2-4-16(5-3-15)17-6-7-18(24)23(21-17)14-19(25)22-10-8-20(9-11-22)26-12-13-27-20/h2-5H,6-14H2,1H3
InChIKeyZGHBMKDZYNWPKY-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.69
Rot. Bonds3

About 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one

2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 20968350) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one
PubChem CID20968350
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C2=NN(CC(=O)N3CCC4(CC3)OCCO4)C(=O)CC2)cc1
InChIInChI=1S/C20H25N3O4/c1-15-2-4-16(5-3-15)17-6-7-18(24)23(21-17)14-19(25)22-10-8-20(9-11-22)26-12-13-27-20/h2-5H,6-14H2,1H3
InChIKeyZGHBMKDZYNWPKY-UHFFFAOYSA-N
XLogP1.69
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one (CID 20968350) is 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one is Cc1ccc(C2=NN(CC(=O)N3CCC4(CC3)OCCO4)C(=O)CC2)cc1.
What is the InChIKey of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is ZGHBMKDZYNWPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15-2-4-16(5-3-15)17-6-7-18(24)23(21-17)14-19(25)22-10-8-20(9-11-22)26-12-13-27-20/h2-5H,6-14H2,1H3.
What are the key properties of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 371.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(4-methylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 20968350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).