[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate

C19H25N3O4 — CID 86826446

IUPAC[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate
SMILESCC(C)CN1CCOC(COC(=O)Cn2ncc3ccccc3c2=O)C1
InChIInChI=1S/C19H25N3O4/c1-14(2)10-21-7-8-25-16(11-21)13-26-18(23)12-22-19(24)17-6-4-3-5-15(17)9-20-22/h3-6,9,14,16H,7-8,10-13H2,1-2H3
InChIKeyLOYRSCKFJVAEKH-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.30
Rot. Bonds6

About [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate

[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate (PubChem CID 86826446) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate.

Molecular Properties

Compound Name[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate
PubChem CID86826446
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate
SMILESCC(C)CN1CCOC(COC(=O)Cn2ncc3ccccc3c2=O)C1
InChIInChI=1S/C19H25N3O4/c1-14(2)10-21-7-8-25-16(11-21)13-26-18(23)12-22-19(24)17-6-4-3-5-15(17)9-20-22/h3-6,9,14,16H,7-8,10-13H2,1-2H3
InChIKeyLOYRSCKFJVAEKH-UHFFFAOYSA-N
XLogP1.30
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate with MolForge

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Related Compounds

N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 39485748
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 75466609
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 78846669
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
CID 78831866
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-cyclohexylacetate
CID 78831240
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
CID 78831870
[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 78825962
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9380725
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate?
The IUPAC name of [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate (CID 86826446) is [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate.
What is the SMILES notation for [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate?
The canonical SMILES for [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate is CC(C)CN1CCOC(COC(=O)Cn2ncc3ccccc3c2=O)C1.
What is the InChIKey of [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate?
The InChIKey is LOYRSCKFJVAEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14(2)10-21-7-8-25-16(11-21)13-26-18(23)12-22-19(24)17-6-4-3-5-15(17)9-20-22/h3-6,9,14,16H,7-8,10-13H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate?
[4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate has a molecular weight of 359.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)morpholin-2-yl]methyl 2-(1-oxophthalazin-2-yl)acetate is sourced from PubChem (CID 86826446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).