2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide

C19H23N3O2 — CID 75465727

IUPAC2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-8-4-2-5-9-15)20-18(23)13-22-19(24)12-16-10-6-3-7-11-17(16)21-22/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,20,23)
InChIKeyYMKLHQDZWJFFKD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.39
Rot. Bonds4

About 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide

2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide (PubChem CID 75465727) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
PubChem CID75465727
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-8-4-2-5-9-15)20-18(23)13-22-19(24)12-16-10-6-3-7-11-17(16)21-22/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,20,23)
InChIKeyYMKLHQDZWJFFKD-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide with MolForge

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Related Compounds

2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099
N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 52900698
(2R)-2-[[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 95395726
N-[(2R)-6-methylheptan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52902394
(2R)-4-methylsulfanyl-2-[[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetyl]amino]butanoic acid
CID 95394952
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
CID 50758002
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92742582
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394
N-(2-ethylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)acetamide
CID 22425572
N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900423
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 110204696
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 91823107

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide (CID 75465727) is 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1ccccc1.
What is the InChIKey of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is YMKLHQDZWJFFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(15-8-4-2-5-9-15)20-18(23)13-22-19(24)12-16-10-6-3-7-11-17(16)21-22/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,20,23).
What are the key properties of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide?
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 75465727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).