N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide

C15H19N3O3 — CID 79377425

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O3/c1-4-18(9-15(2,3)21)14(20)12-10-7-5-6-8-11(10)13(19)17-16-12/h5-8,21H,4,9H2,1-3H3,(H,17,19)
InChIKeyXDKXCXNKQKCNOC-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.16
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 79377425) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID79377425
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O3/c1-4-18(9-15(2,3)21)14(20)12-10-7-5-6-8-11(10)13(19)17-16-12/h5-8,21H,4,9H2,1-3H3,(H,17,19)
InChIKeyXDKXCXNKQKCNOC-UHFFFAOYSA-N
XLogP1.16
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 5220186
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32567639
N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 63691834
ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
CID 78901933
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 31739910
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 111596732
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide
CID 111596489
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 79377425) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide is CCN(CC(C)(C)O)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is XDKXCXNKQKCNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18(9-15(2,3)21)14(20)12-10-7-5-6-8-11(10)13(19)17-16-12/h5-8,21H,4,9H2,1-3H3,(H,17,19).
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 79377425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).