[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate

C19H20ClNO4 — CID 2119737

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NCCCc1ccccc1
InChIInChI=1S/C19H20ClNO4/c20-16-8-10-17(11-9-16)24-14-19(23)25-13-18(22)21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,22)
InChIKeyQYWMPOHHHLTUJE-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.01
Rot. Bonds9

About [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate

[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 2119737) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate
PubChem CID2119737
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NCCCc1ccccc1
InChIInChI=1S/C19H20ClNO4/c20-16-8-10-17(11-9-16)24-14-19(23)25-13-18(22)21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,22)
InChIKeyQYWMPOHHHLTUJE-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate (CID 2119737) is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1)NCCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is QYWMPOHHHLTUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c20-16-8-10-17(11-9-16)24-14-19(23)25-13-18(22)21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,22).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 361.83 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2119737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).