2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate

C12H23NO3 — CID 88906932

IUPAC2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CC)CCOCC
InChIInChI=1S/C12H23NO3/c1-5-13(7-9-15-6-2)8-10-16-12(14)11(3)4/h3,5-10H2,1-2,4H3
InChIKeyPJCWHPFHECPDSL-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.46
Rot. Bonds9

About 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate

2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 88906932) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID88906932
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CC)CCOCC
InChIInChI=1S/C12H23NO3/c1-5-13(7-9-15-6-2)8-10-16-12(14)11(3)4/h3,5-10H2,1-2,4H3
InChIKeyPJCWHPFHECPDSL-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate
CID 162214981
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
2-[2-[2-(dipropylamino)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139824188
3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 87217880
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
ethoxymethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate
CID 157080818
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 160952055
2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
CID 161409865

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate (CID 88906932) is 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CC)CCOCC.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is PJCWHPFHECPDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-13(7-9-15-6-2)8-10-16-12(14)11(3)4/h3,5-10H2,1-2,4H3.
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate?
2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 229.32 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88906932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).