ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate

C15H20N2O3 — CID 115538896

IUPACethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CCc1ccncc1
InChIInChI=1S/C15H20N2O3/c1-3-11-17(12-15(19)20-4-2)14(18)6-5-13-7-9-16-10-8-13/h3,7-10H,1,4-6,11-12H2,2H3
InChIKeyNLGWKMPMZGGFHR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds8

About ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate

ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate (PubChem CID 115538896) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
PubChem CID115538896
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CCc1ccncc1
InChIInChI=1S/C15H20N2O3/c1-3-11-17(12-15(19)20-4-2)14(18)6-5-13-7-9-16-10-8-13/h3,7-10H,1,4-6,11-12H2,2H3
InChIKeyNLGWKMPMZGGFHR-UHFFFAOYSA-N
XLogP1.59
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(3-bromophenyl)propanoyl-prop-2-enylamino]acetate
CID 79422617
ethyl 2-[3-imidazol-1-ylpropanoyl(prop-2-enyl)amino]acetate
CID 78954883
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
CID 78978338
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
CID 78978796
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
CID 79001277
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-prop-2-enylamino]acetate
CID 78978456
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
methyl 2-[methyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 112729455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate?
The IUPAC name of ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate (CID 115538896) is ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)CCc1ccncc1.
What is the InChIKey of ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate?
The InChIKey is NLGWKMPMZGGFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-11-17(12-15(19)20-4-2)14(18)6-5-13-7-9-16-10-8-13/h3,7-10H,1,4-6,11-12H2,2H3.
What are the key properties of ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate?
ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate is sourced from PubChem (CID 115538896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).