ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate

C15H17N3O4 — CID 78901933

IUPACethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H17N3O4/c1-3-18(9-12(19)22-4-2)15(21)13-10-7-5-6-8-11(10)14(20)17-16-13/h5-8H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyRIEHPGKNUZNSMR-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.95
Rot. Bonds5

About ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate

ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate (PubChem CID 78901933) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
PubChem CID78901933
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H17N3O4/c1-3-18(9-12(19)22-4-2)15(21)13-10-7-5-6-8-11(10)14(20)17-16-13/h5-8H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyRIEHPGKNUZNSMR-UHFFFAOYSA-N
XLogP0.95
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 5220186
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083
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-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 43397900
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119643507
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate (CID 78901933) is ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate?
The InChIKey is RIEHPGKNUZNSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-18(9-12(19)22-4-2)15(21)13-10-7-5-6-8-11(10)14(20)17-16-13/h5-8H,3-4,9H2,1-2H3,(H,17,20).
What are the key properties of ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate?
ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate has a molecular weight of 303.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate is sourced from PubChem (CID 78901933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).