[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C20H24N4O6 — CID 43015464

IUPAC[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C20H24N4O6/c1-12(17(26)23-19(28)22-15-4-2-3-5-15)30-18(27)14-8-6-13(7-9-14)11-24-16(25)10-21-20(24)29/h6-9,12,15H,2-5,10-11H2,1H3,(H,21,29)(H2,22,23,26,28)
InChIKeyMSCGCKZMUFWGLJ-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.05
Rot. Bonds6

About [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 43015464) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID43015464
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESCC(OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C20H24N4O6/c1-12(17(26)23-19(28)22-15-4-2-3-5-15)30-18(27)14-8-6-13(7-9-14)11-24-16(25)10-21-20(24)29/h6-9,12,15H,2-5,10-11H2,1H3,(H,21,29)(H2,22,23,26,28)
InChIKeyMSCGCKZMUFWGLJ-UHFFFAOYSA-N
XLogP1.05
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 55358871
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8731969
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46819327
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 55545613
N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 27670779
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 26761509
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211747
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 7844796
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 8954828
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828115
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8562904

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 43015464) is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is CC(OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is MSCGCKZMUFWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-12(17(26)23-19(28)22-15-4-2-3-5-15)30-18(27)14-8-6-13(7-9-14)11-24-16(25)10-21-20(24)29/h6-9,12,15H,2-5,10-11H2,1H3,(H,21,29)(H2,22,23,26,28).
What are the key properties of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 416.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 43015464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).