[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate

C16H21NO4 — CID 2424612

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCOc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C16H21NO4/c1-20-14-8-6-13(7-9-14)17-15(18)11-21-16(19)10-12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyQQGUKTCDDVDAMG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.76
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2424612) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2424612
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCOc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C16H21NO4/c1-20-14-8-6-13(7-9-14)17-15(18)11-21-16(19)10-12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyQQGUKTCDDVDAMG-UHFFFAOYSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2424612) is [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate is COc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is QQGUKTCDDVDAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-14-8-6-13(7-9-14)17-15(18)11-21-16(19)10-12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 291.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2424612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).