N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide

C15H19N3O2 — CID 5220186

IUPACN-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCCCN(CC)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-3-5-10-18(4-2)15(20)13-11-8-6-7-9-12(11)14(19)17-16-13/h6-9H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyRPNDYMHRPBMPAT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds5

About N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide

N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 5220186) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID5220186
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCCCN(CC)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-3-5-10-18(4-2)15(20)13-11-8-6-7-9-12(11)14(19)17-16-13/h6-9H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyRPNDYMHRPBMPAT-UHFFFAOYSA-N
XLogP2.19
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 63691834
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 31739910
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32567639
ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
CID 78901933
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-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564
N-(3-hydroxypropyl)-4-oxo-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide
CID 131893914
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
CID 62201020
N-methyl-4-oxo-N-pyridin-4-yl-3H-phthalazine-1-carboxamide
CID 106936708

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide (CID 5220186) is N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide is CCCCN(CC)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is RPNDYMHRPBMPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-5-10-18(4-2)15(20)13-11-8-6-7-9-12(11)14(19)17-16-13/h6-9H,3-5,10H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide?
N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 5220186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).