[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

C16H25N3O5 — CID 7617522

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)OCC(=O)NC2CC2)C1=O
InChIInChI=1S/C16H25N3O5/c1-3-7-16(8-4-2)14(22)19(15(23)18-16)9-13(21)24-10-12(20)17-11-5-6-11/h11H,3-10H2,1-2H3,(H,17,20)(H,18,23)
InChIKeyMMWWELMEAOAYRI-UHFFFAOYSA-N
MW339.39 g/mol
LogP0.70
Rot. Bonds9

About [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (PubChem CID 7617522) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
PubChem CID7617522
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)OCC(=O)NC2CC2)C1=O
InChIInChI=1S/C16H25N3O5/c1-3-7-16(8-4-2)14(22)19(15(23)18-16)9-13(21)24-10-12(20)17-11-5-6-11/h11H,3-10H2,1-2H3,(H,17,20)(H,18,23)
InChIKeyMMWWELMEAOAYRI-UHFFFAOYSA-N
XLogP0.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617533
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617430
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982234
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469751
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617508
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011087
[2-(cyclopropylamino)-2-oxoethyl] 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652096
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 11913583
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617394
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617439
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691459
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (CID 7617522) is [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is CCCC1(CCC)NC(=O)N(CC(=O)OCC(=O)NC2CC2)C1=O.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The InChIKey is MMWWELMEAOAYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-3-7-16(8-4-2)14(22)19(15(23)18-16)9-13(21)24-10-12(20)17-11-5-6-11/h11H,3-10H2,1-2H3,(H,17,20)(H,18,23).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate has a molecular weight of 339.39 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is sourced from PubChem (CID 7617522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).