N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide

C14H17N3O2 — CID 94155072

IUPACN-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
SMILESCC[C@H](C)NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)9-19-14-12-7-5-4-6-11(12)8-15-17-14/h4-8,10H,3,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeySDARXIAALUYAPW-JTQLQIEISA-N
MW259.31 g/mol
LogP1.92
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide

N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide (PubChem CID 94155072) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
PubChem CID94155072
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
SMILESCC[C@H](C)NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)9-19-14-12-7-5-4-6-11(12)8-15-17-14/h4-8,10H,3,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeySDARXIAALUYAPW-JTQLQIEISA-N
XLogP1.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
CID 94155071
N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide
CID 51142059
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide
CID 98307502
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625176
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide
CID 51142073
N-[(2S)-butan-2-yl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 7701891
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985
N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
CID 42427689

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide (CID 94155072) is N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide is CC[C@H](C)NC(=O)COc1nncc2ccccc12.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide?
The InChIKey is SDARXIAALUYAPW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)9-19-14-12-7-5-4-6-11(12)8-15-17-14/h4-8,10H,3,9H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide?
N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 94155072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).