[2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate

C18H25NO3 — CID 2356189

IUPAC[2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCC(C)(C)c1ccc(NC(=O)COC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-18(2,3)14-8-10-15(11-9-14)19-16(20)12-22-17(21)13-6-4-5-7-13/h8-11,13H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyVOQYGVBXZLTEJV-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.66
Rot. Bonds4

About [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate

[2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 2356189) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID2356189
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCC(C)(C)c1ccc(NC(=O)COC(=O)C2CCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-18(2,3)14-8-10-15(11-9-14)19-16(20)12-22-17(21)13-6-4-5-7-13/h8-11,13H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyVOQYGVBXZLTEJV-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate 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

[(4-Fluorophenyl)carbamoyl]methyl 3-cyclopentylpropanoate
CID 2338160
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(2-Fluoroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4230491
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
[2-(3,4-Dimethylanilino)-2-oxoethyl] 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate
CID 4782550
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 8233956
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
N-(4-butylphenyl)tetrahydrofuran-2-carboxamide
CID 3642785
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
N-(4-butylphenyl)-2-ethoxyacetamide
CID 2162873
[2-(4-Methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2335004

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate (CID 2356189) is [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate is CC(C)(C)c1ccc(NC(=O)COC(=O)C2CCCC2)cc1.
What is the InChIKey of [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is VOQYGVBXZLTEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2,3)14-8-10-15(11-9-14)19-16(20)12-22-17(21)13-6-4-5-7-13/h8-11,13H,4-7,12H2,1-3H3,(H,19,20).
What are the key properties of [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate?
[2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 2356189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).