ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate

C13H25NO3 — CID 106456146

IUPACethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate
SMILESC=CCN(CCOCC(C)C)CC(=O)OCC
InChIInChI=1S/C13H25NO3/c1-5-7-14(10-13(15)17-6-2)8-9-16-11-12(3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyBSRCFBBIWGNHAL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.71
Rot. Bonds10

About ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate

ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate (PubChem CID 106456146) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate
PubChem CID106456146
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate
SMILESC=CCN(CCOCC(C)C)CC(=O)OCC
InChIInChI=1S/C13H25NO3/c1-5-7-14(10-13(15)17-6-2)8-9-16-11-12(3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyBSRCFBBIWGNHAL-UHFFFAOYSA-N
XLogP1.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl 4-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]butanoate
CID 54302600
3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 106484521
ethyl 2-[3,3-dimethylbutyl(prop-2-enyl)amino]acetate
CID 78957213
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
CID 78977811
ethyl 2-[2-imidazol-1-ylethyl(prop-2-enyl)amino]acetate
CID 115539077
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
ethyl 2-[2-(2-oxoimidazolidin-1-yl)ethyl-prop-2-enylamino]acetate
CID 113331381

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate (CID 106456146) is ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate is C=CCN(CCOCC(C)C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate?
The InChIKey is BSRCFBBIWGNHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-7-14(10-13(15)17-6-2)8-9-16-11-12(3)4/h5,12H,1,6-11H2,2-4H3.
What are the key properties of ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate?
ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate has a molecular weight of 243.35 g/mol, XLogP of 1.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methylpropoxy)ethyl-prop-2-enylamino]acetate is sourced from PubChem (CID 106456146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).