[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate

C19H16N4O5 — CID 3951152

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
SMILESCC(OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C19H16N4O5/c1-11(16(24)21-19(20)27)28-18(26)15-13-9-5-6-10-14(13)17(25)23(22-15)12-7-3-2-4-8-12/h2-11H,1H3,(H3,20,21,24,27)
InChIKeyNFAWDIFWOSEHGA-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.13
Rot. Bonds4

About [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate

[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate (PubChem CID 3951152) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
PubChem CID3951152
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
SMILESCC(OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C19H16N4O5/c1-11(16(24)21-19(20)27)28-18(26)15-13-9-5-6-10-14(13)17(25)23(22-15)12-7-3-2-4-8-12/h2-11H,1H3,(H3,20,21,24,27)
InChIKeyNFAWDIFWOSEHGA-UHFFFAOYSA-N
XLogP1.13
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2638807
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 40666872
[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 41001120
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 46618255
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 4535670
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 7184728
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2675427
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 42969238
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
(2-amino-2-oxoethyl) 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2699543
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675294
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2704505

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate (CID 3951152) is [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate is CC(OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate?
The InChIKey is NFAWDIFWOSEHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c1-11(16(24)21-19(20)27)28-18(26)15-13-9-5-6-10-14(13)17(25)23(22-15)12-7-3-2-4-8-12/h2-11H,1H3,(H3,20,21,24,27).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate has a molecular weight of 380.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-phenylphthalazine-1-carboxylate is sourced from PubChem (CID 3951152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).