N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

C19H27N3O2 — CID 46373705

IUPACN-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCc1ccc(C2=NN(CCC(=O)NC(C)(C)C)C(=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-5-14-6-8-15(9-7-14)16-10-11-18(24)22(21-16)13-12-17(23)20-19(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,20,23)
InChIKeyRSUIGJYKLVLVSP-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.88
Rot. Bonds5

About N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide

N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (PubChem CID 46373705) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
PubChem CID46373705
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
SMILESCCc1ccc(C2=NN(CCC(=O)NC(C)(C)C)C(=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-5-14-6-8-15(9-7-14)16-10-11-18(24)22(21-16)13-12-17(23)20-19(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,20,23)
InChIKeyRSUIGJYKLVLVSP-UHFFFAOYSA-N
XLogP2.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide (CID 46373705) is N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is CCc1ccc(C2=NN(CCC(=O)NC(C)(C)C)C(=O)CC2)cc1.
What is the InChIKey of N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
The InChIKey is RSUIGJYKLVLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-14-6-8-15(9-7-14)16-10-11-18(24)22(21-16)13-12-17(23)20-19(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,20,23).
What are the key properties of N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide?
N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide is sourced from PubChem (CID 46373705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).