[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C18H23FN2O5 — CID 46790788

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H23FN2O5/c1-25-11-10-20-17(24)21-15(22)12-26-16(23)18(8-2-3-9-18)13-4-6-14(19)7-5-13/h4-7H,2-3,8-12H2,1H3,(H2,20,21,22,24)
InChIKeyDFIDJZQKDIGRAM-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.65
Rot. Bonds7

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 46790788) has the molecular formula C18H23FN2O5 and a molecular weight of 366.39 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID46790788
Molecular FormulaC18H23FN2O5
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C18H23FN2O5/c1-25-11-10-20-17(24)21-15(22)12-26-16(23)18(8-2-3-9-18)13-4-6-14(19)7-5-13/h4-7H,2-3,8-12H2,1H3,(H2,20,21,22,24)
InChIKeyDFIDJZQKDIGRAM-UHFFFAOYSA-N
XLogP1.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866334
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2355135
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7811663
[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566951
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8610955
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866428
[2-(4-tert-butylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2422072
[2-(4-acetylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2417695
[2-(3-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866395
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866466

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 46790788) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is COCCNC(=O)NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is DFIDJZQKDIGRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O5/c1-25-11-10-20-17(24)21-15(22)12-26-16(23)18(8-2-3-9-18)13-4-6-14(19)7-5-13/h4-7H,2-3,8-12H2,1H3,(H2,20,21,22,24).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 366.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 46790788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).