[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate

C17H22ClNO3 — CID 2434372

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO3/c18-15-8-5-14(6-9-15)11-19-16(20)12-22-17(21)10-7-13-3-1-2-4-13/h5-6,8-9,13H,1-4,7,10-12H2,(H,19,20)
InChIKeyPQOJVWDDEMMQMY-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.47
Rot. Bonds7

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2434372) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2434372
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO3/c18-15-8-5-14(6-9-15)11-19-16(20)12-22-17(21)10-7-13-3-1-2-4-13/h5-6,8-9,13H,1-4,7,10-12H2,(H,19,20)
InChIKeyPQOJVWDDEMMQMY-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate (CID 2434372) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is PQOJVWDDEMMQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c18-15-8-5-14(6-9-15)11-19-16(20)12-22-17(21)10-7-13-3-1-2-4-13/h5-6,8-9,13H,1-4,7,10-12H2,(H,19,20).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 323.82 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2434372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).