[2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C17H23NO4 — CID 2353640

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCOc1cccc(NC(=O)COC(=O)CCC2CCCC2)c1
InChIInChI=1S/C17H23NO4/c1-21-15-8-4-7-14(11-15)18-16(19)12-22-17(20)10-9-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10,12H2,1H3,(H,18,19)
InChIKeyOBSZKLTXKPFNDW-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.15
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2353640) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2353640
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCOc1cccc(NC(=O)COC(=O)CCC2CCCC2)c1
InChIInChI=1S/C17H23NO4/c1-21-15-8-4-7-14(11-15)18-16(19)12-22-17(20)10-9-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10,12H2,1H3,(H,18,19)
InChIKeyOBSZKLTXKPFNDW-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 531888
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 2120008
[2-(3-Methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2337929
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 2395364
[2-(4-Methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2424612
N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 2932836
3-[(3-Methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3113535
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 4430991
N-(3-methoxyphenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 2928952
N-(3-methoxyphenyl)-3-phenylpropanamide
CID 675010
2-ethoxy-N-(3-methoxyphenyl)acetamide
CID 2162893
[(4-Fluorophenyl)carbamoyl]methyl 2-(4-methoxyphenyl)acetate
CID 2335014

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 2353640) is [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate is COc1cccc(NC(=O)COC(=O)CCC2CCCC2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is OBSZKLTXKPFNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-21-15-8-4-7-14(11-15)18-16(19)12-22-17(20)10-9-13-5-2-3-6-13/h4,7-8,11,13H,2-3,5-6,9-10,12H2,1H3,(H,18,19).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 305.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2353640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).