[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate

C18H29N3O5 — CID 9011087

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC(C)CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C18H29N3O5/c1-12(2)8-9-18(3)16(24)21(17(25)20-18)10-15(23)26-11-14(22)19-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,25)/t18-/m1/s1
InChIKeyCANJQIIGYUTMNB-GOSISDBHSA-N
MW367.45 g/mol
LogP1.34
Rot. Bonds8

About [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 9011087) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID9011087
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC(C)CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C18H29N3O5/c1-12(2)8-9-18(3)16(24)21(17(25)20-18)10-15(23)26-11-14(22)19-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,25)/t18-/m1/s1
InChIKeyCANJQIIGYUTMNB-GOSISDBHSA-N
XLogP1.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.34
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

N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41037231
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617533
N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 25389480
N-(2-methylcyclohexyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390572
[2-(4-acetylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011116
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011112
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8011881
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617522
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 4810319
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209656
[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
N-cyclopentyl-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 60623061

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 9011087) is [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate is CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NC2CCCC2)C1=O.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is CANJQIIGYUTMNB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-12(2)8-9-18(3)16(24)21(17(25)20-18)10-15(23)26-11-14(22)19-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,25)/t18-/m1/s1.
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 367.45 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 9011087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).