[2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate

C16H21NO3 — CID 2433158

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-2-12-7-9-13(10-8-12)16(19)20-11-15(18)17-14-5-3-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,17,18)
InChIKeyJDCLTSUFPOODMX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.46
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate

[2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate (PubChem CID 2433158) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate
PubChem CID2433158
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-2-12-7-9-13(10-8-12)16(19)20-11-15(18)17-14-5-3-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,17,18)
InChIKeyJDCLTSUFPOODMX-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate (CID 2433158) is [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate?
The InChIKey is JDCLTSUFPOODMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-12-7-9-13(10-8-12)16(19)20-11-15(18)17-14-5-3-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate has a molecular weight of 275.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate is sourced from PubChem (CID 2433158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).