[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate

C19H24N4O5 — CID 55418514

IUPAC[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate
SMILESCCn1nc(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C19H24N4O5/c1-6-23-16(25)13-10-8-7-9-12(13)14(22-23)17(26)28-11(2)15(24)20-18(27)21-19(3,4)5/h7-11H,6H2,1-5H3,(H2,20,21,24,27)
InChIKeySOTJJSODNSTJHQ-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.59
Rot. Bonds4

About [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate

[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate (PubChem CID 55418514) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate
PubChem CID55418514
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate
SMILESCCn1nc(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C19H24N4O5/c1-6-23-16(25)13-10-8-7-9-12(13)14(22-23)17(26)28-11(2)15(24)20-18(27)21-19(3,4)5/h7-11H,6H2,1-5H3,(H2,20,21,24,27)
InChIKeySOTJJSODNSTJHQ-UHFFFAOYSA-N
XLogP1.59
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 8946867
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7190070
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 4535670
[(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 40829564
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7270769
[(2R)-1-anilino-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 2640040
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2638807
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 7169521
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55420062
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 42966055
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-2-methylpropanoate
CID 51077827
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 41197894

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate (CID 55418514) is [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate is CCn1nc(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)c2ccccc2c1=O.
What is the InChIKey of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate?
The InChIKey is SOTJJSODNSTJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-6-23-16(25)13-10-8-7-9-12(13)14(22-23)17(26)28-11(2)15(24)20-18(27)21-19(3,4)5/h7-11H,6H2,1-5H3,(H2,20,21,24,27).
What are the key properties of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate?
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 55418514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).