2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

C18H23N3O3 — CID 3239892

IUPAC2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-14(2)24-12-6-11-19-17(22)13-21-18(23)10-9-16(20-21)15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,19,22)
InChIKeyOJNFLRLPNKFNQW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.84
Rot. Bonds8

About 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 3239892) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID3239892
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H23N3O3/c1-14(2)24-12-6-11-19-17(22)13-21-18(23)10-9-16(20-21)15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,19,22)
InChIKeyOJNFLRLPNKFNQW-UHFFFAOYSA-N
XLogP1.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 3239892) is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is OJNFLRLPNKFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14(2)24-12-6-11-19-17(22)13-21-18(23)10-9-16(20-21)15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,19,22).
What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 3239892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).