4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate

C11H20ClNO3 — CID 20811186

IUPAC4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCNCOCCCl
InChIInChI=1S/C11H20ClNO3/c1-10(2)11(14)16-7-4-3-6-13-9-15-8-5-12/h13H,1,3-9H2,2H3
InChIKeyOLDNFUXFEGYVMR-UHFFFAOYSA-N
MW249.74 g/mol
LogP1.69
Rot. Bonds10

About 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate

4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate (PubChem CID 20811186) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate
PubChem CID20811186
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Name4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCNCOCCCl
InChIInChI=1S/C11H20ClNO3/c1-10(2)11(14)16-7-4-3-6-13-9-15-8-5-12/h13H,1,3-9H2,2H3
InChIKeyOLDNFUXFEGYVMR-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-(3-chloropropylperoxy)butyl 2-methylprop-2-enoate
CID 20811190
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
6-chlorohexyl 2-methylprop-2-enoate;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 86748899
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
2-(2-methylprop-2-enoyloxy)ethyl 6-(4-chlorobutanoyloxy)hexanoate
CID 102447588
2-(2-cyanoethoxymethylamino)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 164532227

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate?
The IUPAC name of 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate (CID 20811186) is 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCNCOCCCl.
What is the InChIKey of 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate?
The InChIKey is OLDNFUXFEGYVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3/c1-10(2)11(14)16-7-4-3-6-13-9-15-8-5-12/h13H,1,3-9H2,2H3.
What are the key properties of 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate?
4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate has a molecular weight of 249.74 g/mol, XLogP of 1.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxymethylamino)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 20811186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).