[2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C18H23NO4 — CID 2380175

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C18H23NO4/c1-13(20)15-7-9-16(10-8-15)19-17(21)12-23-18(22)11-6-14-4-2-3-5-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyNAOLHUYTSVURLC-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.34
Rot. Bonds7

About [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2380175) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2380175
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C18H23NO4/c1-13(20)15-7-9-16(10-8-15)19-17(21)12-23-18(22)11-6-14-4-2-3-5-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyNAOLHUYTSVURLC-UHFFFAOYSA-N
XLogP3.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 2380175) is [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is CC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is NAOLHUYTSVURLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-13(20)15-7-9-16(10-8-15)19-17(21)12-23-18(22)11-6-14-4-2-3-5-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,21).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 317.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2380175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).