N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide

C18H23N3O4 — CID 91938948

IUPACN-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCOCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O
InChIInChI=1S/C18H23N3O4/c1-3-25-11-7-10-19-16(22)13-21-17(23)12-15(24-2)18(20-21)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,19,22)
InChIKeyFXLLWBQQTLPADV-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.46
Rot. Bonds9

About N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 91938948) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID91938948
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCOCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O
InChIInChI=1S/C18H23N3O4/c1-3-25-11-7-10-19-16(22)13-21-17(23)12-15(24-2)18(20-21)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,19,22)
InChIKeyFXLLWBQQTLPADV-UHFFFAOYSA-N
XLogP1.46
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 91938948) is N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide is CCOCCCNC(=O)Cn1nc(-c2ccccc2)c(OC)cc1=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is FXLLWBQQTLPADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-25-11-7-10-19-16(22)13-21-17(23)12-15(24-2)18(20-21)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 91938948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).