ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate

C15H20N2O3 — CID 62012609

IUPACethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CCOc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O3/c1-3-19-15(18)8-9-17(2)10-11-20-14-6-4-13(12-16)5-7-14/h4-7H,3,8-11H2,1-2H3
InChIKeyVSWKIAZTAVEMAR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.82
Rot. Bonds8

About ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate

ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate (PubChem CID 62012609) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
PubChem CID62012609
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)CCOc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O3/c1-3-19-15(18)8-9-17(2)10-11-20-14-6-4-13(12-16)5-7-14/h4-7H,3,8-11H2,1-2H3
InChIKeyVSWKIAZTAVEMAR-UHFFFAOYSA-N
XLogP1.82
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-cyanophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60696515
ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate
CID 60687882
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate
CID 103566190
ethyl 3-[(5-cyanopyridine-2-carbonyl)-methylamino]propanoate
CID 63717533
ethane;4-(3-oxobutoxy)benzonitrile
CID 91075303
ethyl 3-[3-(4-benzylphenoxy)propyl-methylamino]propanoate
CID 11089571
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylamino]propanoate
CID 60654331
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088
4-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzonitrile
CID 113339720

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate (CID 62012609) is ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate is CCOC(=O)CCN(C)CCOc1ccc(C#N)cc1.
What is the InChIKey of ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate?
The InChIKey is VSWKIAZTAVEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-19-15(18)8-9-17(2)10-11-20-14-6-4-13(12-16)5-7-14/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate?
ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate is sourced from PubChem (CID 62012609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).