ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate

C14H24N2O4 — CID 78925035

IUPACethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)NC1CCOCC1)CC(=O)OCC
InChIInChI=1S/C14H24N2O4/c1-3-7-16(11-14(18)20-4-2)10-13(17)15-12-5-8-19-9-6-12/h3,12H,1,4-11H2,2H3,(H,15,17)
InChIKeyACLMLRGSWXHNLC-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.33
Rot. Bonds8

About ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate

ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate (PubChem CID 78925035) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
PubChem CID78925035
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)NC1CCOCC1)CC(=O)OCC
InChIInChI=1S/C14H24N2O4/c1-3-7-16(11-14(18)20-4-2)10-13(17)15-12-5-8-19-9-6-12/h3,12H,1,4-11H2,2H3,(H,15,17)
InChIKeyACLMLRGSWXHNLC-UHFFFAOYSA-N
XLogP0.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277104
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
CID 113237467
ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977780
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
CID 63099178
N-(oxan-4-yl)but-3-enamide
CID 134356735
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977781
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate
CID 113158536
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide
CID 63099380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate (CID 78925035) is ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)NC1CCOCC1)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
The InChIKey is ACLMLRGSWXHNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-7-16(11-14(18)20-4-2)10-13(17)15-12-5-8-19-9-6-12/h3,12H,1,4-11H2,2H3,(H,15,17).
What are the key properties of ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate?
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate has a molecular weight of 284.36 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 78925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).