N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

C18H24N4O3 — CID 94014996

IUPACN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)C1
InChIInChI=1S/C18H24N4O3/c1-12(2)10-22-7-8-25-13(11-22)9-19-18(24)16-14-5-3-4-6-15(14)17(23)21-20-16/h3-6,12-13H,7-11H2,1-2H3,(H,19,24)(H,21,23)/t13-/m1/s1
InChIKeyXVVUOWHRHDJKCI-CYBMUJFWSA-N
MW344.42 g/mol
LogP1.01
Rot. Bonds5

About N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 94014996) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID94014996
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)C1
InChIInChI=1S/C18H24N4O3/c1-12(2)10-22-7-8-25-13(11-22)9-19-18(24)16-14-5-3-4-6-15(14)17(23)21-20-16/h3-6,12-13H,7-11H2,1-2H3,(H,19,24)(H,21,23)/t13-/m1/s1
InChIKeyXVVUOWHRHDJKCI-CYBMUJFWSA-N
XLogP1.01
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
CID 47013454
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
2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide
CID 46604852

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 94014996) is N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is CC(C)CN1CCO[C@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)C1.
What is the InChIKey of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is XVVUOWHRHDJKCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)10-22-7-8-25-13(11-22)9-19-18(24)16-14-5-3-4-6-15(14)17(23)21-20-16/h3-6,12-13H,7-11H2,1-2H3,(H,19,24)(H,21,23)/t13-/m1/s1.
What are the key properties of N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 94014996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).