ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate

C15H23NO3 — CID 19816767

IUPACethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CCCOc1ccccc1
InChIInChI=1S/C15H23NO3/c1-3-18-15(17)10-12-16(2)11-7-13-19-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKeyVYMGWVICDXYIBG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.34
Rot. Bonds9

About ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate

ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate (PubChem CID 19816767) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
PubChem CID19816767
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
SMILESCCOC(=O)CCN(C)CCCOc1ccccc1
InChIInChI=1S/C15H23NO3/c1-3-18-15(17)10-12-16(2)11-7-13-19-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKeyVYMGWVICDXYIBG-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-(4-benzylphenoxy)propyl-methylamino]propanoate
CID 11089571
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552
propyl 3-phenoxypropanoate
CID 43389568
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
ethyl 3-(2-phenoxyethylamino)propanoate
CID 60647928
ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
CID 62012609
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 4-[4-(2-phenylethynyl)phenoxy]butanoate
CID 154694040
ethyl 3-[4-(5-phenoxypent-1-enyl)phenyl]propanoate
CID 69074158
ethyl 4-oxo-5-phenoxypentanoate
CID 66322532

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate (CID 19816767) is ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate is CCOC(=O)CCN(C)CCCOc1ccccc1.
What is the InChIKey of ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate?
The InChIKey is VYMGWVICDXYIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-18-15(17)10-12-16(2)11-7-13-19-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3.
What are the key properties of ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate?
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate is sourced from PubChem (CID 19816767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).