N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide

C20H27N3O2 — CID 170370128

IUPACN-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
SMILESCc1ccc2c(=O)n(CC(=O)N[C@@H](C)C3CCC3)nc(C(C)C)c2c1
InChIInChI=1S/C20H27N3O2/c1-12(2)19-17-10-13(3)8-9-16(17)20(25)23(22-19)11-18(24)21-14(4)15-6-5-7-15/h8-10,12,14-15H,5-7,11H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyJJCVZLNWJZLIGX-AWEZNQCLSA-N
MW341.46 g/mol
LogP3.13
Rot. Bonds5

About N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide

N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide (PubChem CID 170370128) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
PubChem CID170370128
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
SMILESCc1ccc2c(=O)n(CC(=O)N[C@@H](C)C3CCC3)nc(C(C)C)c2c1
InChIInChI=1S/C20H27N3O2/c1-12(2)19-17-10-13(3)8-9-16(17)20(25)23(22-19)11-18(24)21-14(4)15-6-5-7-15/h8-10,12,14-15H,5-7,11H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyJJCVZLNWJZLIGX-AWEZNQCLSA-N
XLogP3.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 170368979
2-(6-cyclobutyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetic acid
CID 162363887
N-(4-hydroxycyclohexyl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363900
2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 162364321
N-(1-ethylpiperidin-3-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363968
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(3-methoxy-3-methylcyclobutyl)acetamide
CID 166874409
ethyl 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetate
CID 162363975
N-[3-(2-hydroxypropan-2-yl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363709
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364313
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-[(2S)-4-cyclobutyl-1-methylpiperazin-2-yl]acetamide
CID 170370156
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 170318405
N-[(1R)-1-cyclopropylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879308

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The IUPAC name of N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide (CID 170370128) is N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The canonical SMILES for N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide is Cc1ccc2c(=O)n(CC(=O)N[C@@H](C)C3CCC3)nc(C(C)C)c2c1.
What is the InChIKey of N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The InChIKey is JJCVZLNWJZLIGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-12(2)19-17-10-13(3)8-9-16(17)20(25)23(22-19)11-18(24)21-14(4)15-6-5-7-15/h8-10,12,14-15H,5-7,11H2,1-4H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide is sourced from PubChem (CID 170370128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).