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

C15H19N3O3 — CID 63691834

IUPACN-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCOCCN(CC)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O3/c1-3-18(9-10-21-4-2)15(20)13-11-7-5-6-8-12(11)14(19)17-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyJRDJVNYHPYFGCT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.42
Rot. Bonds6

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

N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 63691834) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID63691834
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCOCCN(CC)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O3/c1-3-18(9-10-21-4-2)15(20)13-11-7-5-6-8-12(11)14(19)17-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyJRDJVNYHPYFGCT-UHFFFAOYSA-N
XLogP1.42
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 5220186
ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
CID 78901933
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32567639
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 31739910
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55227290
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27795601

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide (CID 63691834) is N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide is CCOCCN(CC)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is JRDJVNYHPYFGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-18(9-10-21-4-2)15(20)13-11-7-5-6-8-12(11)14(19)17-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 63691834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).