2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide

C18H24N4O4 — CID 136534630

IUPAC2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)N2C(=O)C3CCCCC3C2=O)nn1
InChIInChI=1S/C18H24N4O4/c1-10(2)26-15-9-8-14(20-21-15)19-16(23)11(3)22-17(24)12-6-4-5-7-13(12)18(22)25/h8-13H,4-7H2,1-3H3,(H,19,20,23)
InChIKeySZXGDGZBSWBONX-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.77
Rot. Bonds5

About 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide (PubChem CID 136534630) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide
PubChem CID136534630
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)N2C(=O)C3CCCCC3C2=O)nn1
InChIInChI=1S/C18H24N4O4/c1-10(2)26-15-9-8-14(20-21-15)19-16(23)11(3)22-17(24)12-6-4-5-7-13(12)18(22)25/h8-13H,4-7H2,1-3H3,(H,19,20,23)
InChIKeySZXGDGZBSWBONX-UHFFFAOYSA-N
XLogP1.77
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide?
The IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide (CID 136534630) is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide is CC(C)Oc1ccc(NC(=O)C(C)N2C(=O)C3CCCCC3C2=O)nn1.
What is the InChIKey of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide?
The InChIKey is SZXGDGZBSWBONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-10(2)26-15-9-8-14(20-21-15)19-16(23)11(3)22-17(24)12-6-4-5-7-13(12)18(22)25/h8-13H,4-7H2,1-3H3,(H,19,20,23).
What are the key properties of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide?
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide has a molecular weight of 360.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(6-propan-2-yloxypyridazin-3-yl)propanamide is sourced from PubChem (CID 136534630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).