ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate

C19H24N2O3 — CID 118176696

IUPACethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccc(Oc2ccc(CC)cc2)nc1
InChIInChI=1S/C19H24N2O3/c1-3-15-5-8-17(9-6-15)24-18-10-7-16(14-21-18)13-20-12-11-19(22)23-4-2/h5-10,14,20H,3-4,11-13H2,1-2H3
InChIKeyZKPRLTYOHHIIBP-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.48
Rot. Bonds9

About ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate

ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate (PubChem CID 118176696) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
PubChem CID118176696
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccc(Oc2ccc(CC)cc2)nc1
InChIInChI=1S/C19H24N2O3/c1-3-15-5-8-17(9-6-15)24-18-10-7-16(14-21-18)13-20-12-11-19(22)23-4-2/h5-10,14,20H,3-4,11-13H2,1-2H3
InChIKeyZKPRLTYOHHIIBP-UHFFFAOYSA-N
XLogP3.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
ethyl 3-[(6-bromo-3-pyridinyl)methylamino]propanoate
CID 118176608
ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176672
ethyl 3-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176702
N-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295710
ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate
CID 118176752
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
6-(4-ethylphenoxy)pyridine-3-carbaldehyde
CID 80631614
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
methyl 4-[[(3-ethoxy-3-oxopropyl)amino]methyl]benzoate
CID 60649490
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate?
The IUPAC name of ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate (CID 118176696) is ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate?
The canonical SMILES for ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate is CCOC(=O)CCNCc1ccc(Oc2ccc(CC)cc2)nc1.
What is the InChIKey of ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate?
The InChIKey is ZKPRLTYOHHIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-15-5-8-17(9-6-15)24-18-10-7-16(14-21-18)13-20-12-11-19(22)23-4-2/h5-10,14,20H,3-4,11-13H2,1-2H3.
What are the key properties of ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate?
ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate has a molecular weight of 328.41 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate is sourced from PubChem (CID 118176696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).