[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C24H28FNO3 — CID 8661524

IUPAC[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C2(c3ccccc3F)CCCC2)c(C)c1
InChIInChI=1S/C24H28FNO3/c1-15-13-16(2)21(17(3)14-15)26-22(27)18(4)29-23(28)24(11-7-8-12-24)19-9-5-6-10-20(19)25/h5-6,9-10,13-14,18H,7-8,11-12H2,1-4H3,(H,26,27)/t18-/m1/s1
InChIKeyVQKCFRBDPDSVOU-GOSISDBHSA-N
MW397.49 g/mol
LogP5.13
Rot. Bonds5

About [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8661524) has the molecular formula C24H28FNO3 and a molecular weight of 397.49 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8661524
Molecular FormulaC24H28FNO3
Molecular Weight397.49 g/mol
Exact Mass397.21
IUPAC Name[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C2(c3ccccc3F)CCCC2)c(C)c1
InChIInChI=1S/C24H28FNO3/c1-15-13-16(2)21(17(3)14-15)26-22(27)18(4)29-23(28)24(11-7-8-12-24)19-9-5-6-10-20(19)25/h5-6,9-10,13-14,18H,7-8,11-12H2,1-4H3,(H,26,27)/t18-/m1/s1
InChIKeyVQKCFRBDPDSVOU-GOSISDBHSA-N
XLogP5.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2369876
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661352
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661448
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-methylbenzoate
CID 5101564
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661547
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663768
[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 40651443
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 18169674
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958308
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7229618

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 8661524) is [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C2(c3ccccc3F)CCCC2)c(C)c1.
What is the InChIKey of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is VQKCFRBDPDSVOU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28FNO3/c1-15-13-16(2)21(17(3)14-15)26-22(27)18(4)29-23(28)24(11-7-8-12-24)19-9-5-6-10-20(19)25/h5-6,9-10,13-14,18H,7-8,11-12H2,1-4H3,(H,26,27)/t18-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 397.49 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8661524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).