2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate

C19H20N2O4 — CID 3406198

IUPAC2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccccc1OCC(=O)OCCNC(=O)c1ccncc1
InChIInChI=1S/C19H20N2O4/c1-2-5-15-6-3-4-7-17(15)25-14-18(22)24-13-12-21-19(23)16-8-10-20-11-9-16/h2-4,6-11H,1,5,12-14H2,(H,21,23)
InChIKeyNWTFDGOSKKHUNC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.16
Rot. Bonds9

About 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate

2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate (PubChem CID 3406198) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate
PubChem CID3406198
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate
SMILESC=CCc1ccccc1OCC(=O)OCCNC(=O)c1ccncc1
InChIInChI=1S/C19H20N2O4/c1-2-5-15-6-3-4-7-17(15)25-14-18(22)24-13-12-21-19(23)16-8-10-20-11-9-16/h2-4,6-11H,1,5,12-14H2,(H,21,23)
InChIKeyNWTFDGOSKKHUNC-UHFFFAOYSA-N
XLogP2.16
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678
2-(pyridine-4-carbonylamino)ethyl 2-(4-chlorophenoxy)acetate
CID 3405272
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
[4-(phenylcarbamoyl)phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407155
2-(pyridine-4-carbonylamino)ethyl 3-methyl-5-phenylpentanoate
CID 86868821
N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407145
4-fluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576870
2-(pyridine-4-carbonylamino)ethyl 2-(2-bromo-4,5-diethoxyphenyl)acetate
CID 75416268
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate?
The IUPAC name of 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate (CID 3406198) is 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate?
The canonical SMILES for 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate is C=CCc1ccccc1OCC(=O)OCCNC(=O)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate?
The InChIKey is NWTFDGOSKKHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-5-15-6-3-4-7-17(15)25-14-18(22)24-13-12-21-19(23)16-8-10-20-11-9-16/h2-4,6-11H,1,5,12-14H2,(H,21,23).
What are the key properties of 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate?
2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate has a molecular weight of 340.38 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonylamino)ethyl 2-(2-prop-2-enylphenoxy)acetate is sourced from PubChem (CID 3406198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).