[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C24H27FN2O4 — CID 8661544

IUPAC[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1cccc(NC(=O)CNC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1C
InChIInChI=1S/C24H27FN2O4/c1-16-8-7-11-20(17(16)2)27-21(28)14-26-22(29)15-31-23(30)24(12-5-6-13-24)18-9-3-4-10-19(18)25/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyTUKOPPKROKTTCM-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.55
Rot. Bonds7

About [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8661544) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8661544
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1cccc(NC(=O)CNC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1C
InChIInChI=1S/C24H27FN2O4/c1-16-8-7-11-20(17(16)2)27-21(28)14-26-22(29)15-31-23(30)24(12-5-6-13-24)18-9-3-4-10-19(18)25/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyTUKOPPKROKTTCM-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-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661547
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenoxy)acetyl]amino]acetamide
CID 7501086
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866466
(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2352376
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 27893749
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate
CID 46531351
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611135
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382611
cis-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7778232
[2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2353380
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
[2-(cyclopentylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661548

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 8661544) is [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is Cc1cccc(NC(=O)CNC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1C.
What is the InChIKey of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is TUKOPPKROKTTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-16-8-7-11-20(17(16)2)27-21(28)14-26-22(29)15-31-23(30)24(12-5-6-13-24)18-9-3-4-10-19(18)25/h3-4,7-11H,5-6,12-15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-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-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8661544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).