[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C24H26FNO4 — CID 18275489

IUPAC[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCC(=O)C(Cc1ccccc1)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C24H26FNO4/c1-17(27)21(14-18-8-3-2-4-9-18)26-22(28)16-30-23(29)24(12-5-6-13-24)19-10-7-11-20(25)15-19/h2-4,7-11,15,21H,5-6,12-14,16H2,1H3,(H,26,28)
InChIKeyHIOJMXSROKYCRC-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.50
Rot. Bonds8

About [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 18275489) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID18275489
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCC(=O)C(Cc1ccccc1)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C24H26FNO4/c1-17(27)21(14-18-8-3-2-4-9-18)26-22(28)16-30-23(29)24(12-5-6-13-24)19-10-7-11-20(25)15-19/h2-4,7-11,15,21H,5-6,12-14,16H2,1H3,(H,26,28)
InChIKeyHIOJMXSROKYCRC-UHFFFAOYSA-N
XLogP3.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 7824908
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526221
[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
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CID 16526166
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2097143
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526239
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980645
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314215
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 42980138
dimethyl 5-[[2-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 16526186
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 18275489) is [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is CC(=O)C(Cc1ccccc1)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is HIOJMXSROKYCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO4/c1-17(27)21(14-18-8-3-2-4-9-18)26-22(28)16-30-23(29)24(12-5-6-13-24)19-10-7-11-20(25)15-19/h2-4,7-11,15,21H,5-6,12-14,16H2,1H3,(H,26,28).
What are the key properties of [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 411.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 18275489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).