2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide

C24H27N3O3 — CID 46381619

IUPAC2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide
SMILESCc1ccc(-n2nc(OC(C)C(=O)NCCCc3ccccc3)ccc2=O)cc1C
InChIInChI=1S/C24H27N3O3/c1-17-11-12-21(16-18(17)2)27-23(28)14-13-22(26-27)30-19(3)24(29)25-15-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-14,16,19H,7,10,15H2,1-3H3,(H,25,29)
InChIKeyNZWFLYKWLYHENC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.37
Rot. Bonds8

About 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide

2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide (PubChem CID 46381619) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide
PubChem CID46381619
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide
SMILESCc1ccc(-n2nc(OC(C)C(=O)NCCCc3ccccc3)ccc2=O)cc1C
InChIInChI=1S/C24H27N3O3/c1-17-11-12-21(16-18(17)2)27-23(28)14-13-22(26-27)30-19(3)24(29)25-15-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-14,16,19H,7,10,15H2,1-3H3,(H,25,29)
InChIKeyNZWFLYKWLYHENC-UHFFFAOYSA-N
XLogP3.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.37
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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Related Compounds

2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide
CID 46381662
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 46381615
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92881062
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 95085426
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880949
(2R)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880947
ethyl 4-[[(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92881002
N-(2-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381627
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 46383664
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880959
(2S)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(3-phenylpropyl)propanamide
CID 92882013
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381499

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide (CID 46381619) is 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide is Cc1ccc(-n2nc(OC(C)C(=O)NCCCc3ccccc3)ccc2=O)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide?
The InChIKey is NZWFLYKWLYHENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-11-12-21(16-18(17)2)27-23(28)14-13-22(26-27)30-19(3)24(29)25-15-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-14,16,19H,7,10,15H2,1-3H3,(H,25,29).
What are the key properties of 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide?
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 46381619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).