[2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate

C15H19NO4 — CID 2364845

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCOC1=CC=CC=C1NC(=O)COC(=O)C2CCCC2
InChIInChI=1S/C15H19NO4/c1-19-13-9-5-4-8-12(13)16-14(17)10-20-15(18)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17)
InChIKeyOXOWJQVHRLNVSU-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.50
Rot. Bonds6

About [2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate

[2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 2364845) has the molecular formula C15H19NO4 and a molecular weight of 277.31 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID2364845
Molecular FormulaC15H19NO4
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESCOC1=CC=CC=C1NC(=O)COC(=O)C2CCCC2
InChIInChI=1S/C15H19NO4/c1-19-13-9-5-4-8-12(13)16-14(17)10-20-15(18)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17)
InChIKeyOXOWJQVHRLNVSU-UHFFFAOYSA-N
XLogP2.50
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity339

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

o-Ethoxyacetanilide
CID 11383
N-(2,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 531888
5-isopropyl-N-(2-methoxyphenyl)-2-oxotetrahydro-3-furancarboxamide
CID 4523465
N,N'-bis(2-methoxyphenyl)hexanediamide
CID 2165672
N-(4-methoxyphenyl)cyclopentanecarboxamide
CID 531886
N-(2-methoxyphenyl)-2-phenoxyacetamide
CID 721262
2'-Methoxy-2-phenylacetanilide
CID 258229
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 2120008
[2-(3-Methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2353640
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2395364
[2-(4-Methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2424612
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2429712

Frequently Asked Questions

What is the IUPAC name of [2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate (CID 2364845) is [2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate is COC1=CC=CC=C1NC(=O)COC(=O)C2CCCC2.
What is the InChIKey of [2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is OXOWJQVHRLNVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-9-5-4-8-12(13)16-14(17)10-20-15(18)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17).
What are the key properties of [2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate?
[2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 277.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-Methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 2364845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).