[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C24H28FNO4 — CID 8574749

IUPAC[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(CCNC(=O)[C@@H](C)OC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C24H28FNO4/c1-17(22(27)26-16-13-18-5-11-21(29-2)12-6-18)30-23(28)24(14-3-4-15-24)19-7-9-20(25)10-8-19/h5-12,17H,3-4,13-16H2,1-2H3,(H,26,27)/t17-/m1/s1
InChIKeyTZKNRNFDOVWEDM-QGZVFWFLSA-N
MW413.49 g/mol
LogP3.94
Rot. Bonds8

About [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8574749) has the molecular formula C24H28FNO4 and a molecular weight of 413.49 g/mol. Its IUPAC name is [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8574749
Molecular FormulaC24H28FNO4
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(CCNC(=O)[C@@H](C)OC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C24H28FNO4/c1-17(22(27)26-16-13-18-5-11-21(29-2)12-6-18)30-23(28)24(14-3-4-15-24)19-7-9-20(25)10-8-19/h5-12,17H,3-4,13-16H2,1-2H3,(H,26,27)/t17-/m1/s1
InChIKeyTZKNRNFDOVWEDM-QGZVFWFLSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011674
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 4538959
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574581
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661449
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 8528450
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574804
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7811663
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 7958995

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 8574749) is [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is COc1ccc(CCNC(=O)[C@@H](C)OC(=O)C2(c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is TZKNRNFDOVWEDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28FNO4/c1-17(22(27)26-16-13-18-5-11-21(29-2)12-6-18)30-23(28)24(14-3-4-15-24)19-7-9-20(25)10-8-19/h5-12,17H,3-4,13-16H2,1-2H3,(H,26,27)/t17-/m1/s1.
What are the key properties of [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 413.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8574749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).