N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide

C22H24N4O3 — CID 51157073

IUPACN-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O3/c1-4-25(14-19(27)23-15(2)3)22(29)20-17-12-8-9-13-18(17)21(28)26(24-20)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,23,27)
InChIKeyFTXOFKZAJIVOJF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide

N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide (PubChem CID 51157073) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide
PubChem CID51157073
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O3/c1-4-25(14-19(27)23-15(2)3)22(29)20-17-12-8-9-13-18(17)21(28)26(24-20)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,23,27)
InChIKeyFTXOFKZAJIVOJF-UHFFFAOYSA-N
XLogP2.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55593523
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2704505
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
[2-(diethylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2588325
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 40666872
4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
4-oxo-3-phenyl-N-[(2S)-2-phenylbutyl]phthalazine-1-carboxamide
CID 27862617
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 24529352

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide (CID 51157073) is N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide?
The InChIKey is FTXOFKZAJIVOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-25(14-19(27)23-15(2)3)22(29)20-17-12-8-9-13-18(17)21(28)26(24-20)16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3,(H,23,27).
What are the key properties of N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide?
N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 51157073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).