[2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate

C16H21NO3 — CID 2456514

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCc1ccccc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C16H21NO3/c1-12-6-2-5-9-14(12)17-15(18)11-20-16(19)10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,17,18)
InChIKeyYYFCPQFLIJEGIM-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.06
Rot. Bonds5

About [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2456514) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2456514
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCc1ccccc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C16H21NO3/c1-12-6-2-5-9-14(12)17-15(18)11-20-16(19)10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,17,18)
InChIKeyYYFCPQFLIJEGIM-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2456514) is [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate is Cc1ccccc1NC(=O)COC(=O)CC1CCCC1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is YYFCPQFLIJEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-6-2-5-9-14(12)17-15(18)11-20-16(19)10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,17,18).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 275.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2456514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).