ethyl 3-(2-phenoxyethylamino)propanoate

C13H19NO3 — CID 60647928

IUPACethyl 3-(2-phenoxyethylamino)propanoate
SMILESCCOC(=O)CCNCCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-16-13(15)8-9-14-10-11-17-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyUNVIAYNXIYKXKS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.61
Rot. Bonds8

About ethyl 3-(2-phenoxyethylamino)propanoate

ethyl 3-(2-phenoxyethylamino)propanoate (PubChem CID 60647928) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 3-(2-phenoxyethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-phenoxyethylamino)propanoate
PubChem CID60647928
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 3-(2-phenoxyethylamino)propanoate
SMILESCCOC(=O)CCNCCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-16-13(15)8-9-14-10-11-17-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyUNVIAYNXIYKXKS-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.61
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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Related Compounds

4-[2-[(3-ethoxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 103245358
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552
3-[2-(4-ethoxyphenoxy)ethylamino]propanoic acid
CID 43386866
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate
CID 60687882
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
propyl 3-phenoxypropanoate
CID 43389568
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532
ethyl 4-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]butanoate;hydroiodide
CID 111005438
ethyl 3-anilinopropanoate
CID 10910393

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-phenoxyethylamino)propanoate?
The IUPAC name of ethyl 3-(2-phenoxyethylamino)propanoate (CID 60647928) is ethyl 3-(2-phenoxyethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-phenoxyethylamino)propanoate?
The canonical SMILES for ethyl 3-(2-phenoxyethylamino)propanoate is CCOC(=O)CCNCCOc1ccccc1.
What is the InChIKey of ethyl 3-(2-phenoxyethylamino)propanoate?
The InChIKey is UNVIAYNXIYKXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-16-13(15)8-9-14-10-11-17-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3.
What are the key properties of ethyl 3-(2-phenoxyethylamino)propanoate?
ethyl 3-(2-phenoxyethylamino)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-phenoxyethylamino)propanoate is sourced from PubChem (CID 60647928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).