[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C24H27FN2O4 — CID 7866466

IUPAC[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C24H27FN2O4/c1-16-6-5-7-17(2)22(16)27-20(28)14-26-21(29)15-31-23(30)24(12-3-4-13-24)18-8-10-19(25)11-9-18/h5-11H,3-4,12-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyPCDDCYWJULEMHL-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.55
Rot. Bonds7

About [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 7866466) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID7866466
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1cccc(C)c1NC(=O)CNC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C24H27FN2O4/c1-16-6-5-7-17(2)22(16)27-20(28)14-26-21(29)15-31-23(30)24(12-3-4-13-24)18-8-10-19(25)11-9-18/h5-11H,3-4,12-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyPCDDCYWJULEMHL-UHFFFAOYSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2355135
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866428
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661544
[2-(3-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866395
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455322
[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-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866432
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866426
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 7866466) is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is PCDDCYWJULEMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-16-6-5-7-17(2)22(16)27-20(28)14-26-21(29)15-31-23(30)24(12-3-4-13-24)18-8-10-19(25)11-9-18/h5-11H,3-4,12-15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 426.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 7866466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).