3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate

C11H21NO3 — CID 87217880

IUPAC3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(CC)CCO
InChIInChI=1S/C11H21NO3/c1-4-12(7-8-13)6-5-9-15-11(14)10(2)3/h13H,2,4-9H2,1,3H3
InChIKeyXSJIFQHZVRGLHP-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.81
Rot. Bonds8

About 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate

3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate (PubChem CID 87217880) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
PubChem CID87217880
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(CC)CCO
InChIInChI=1S/C11H21NO3/c1-4-12(7-8-13)6-5-9-15-11(14)10(2)3/h13H,2,4-9H2,1,3H3
InChIKeyXSJIFQHZVRGLHP-UHFFFAOYSA-N
XLogP0.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
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

3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 20603675
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide
CID 173034939
2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
CID 88906932
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid
CID 87094318
5-[4-[4-[6-[3-[ethyl(2-hydroxyethyl)amino]propanoyloxy]hexoxy]benzoyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 134197930
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
3-(dimethoxyamino)propyl 2-methylprop-2-enoate
CID 163889892
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate (CID 87217880) is 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN(CC)CCO.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate?
The InChIKey is XSJIFQHZVRGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-12(7-8-13)6-5-9-15-11(14)10(2)3/h13H,2,4-9H2,1,3H3.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate?
3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate has a molecular weight of 215.29 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 87217880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).