2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate

C14H24N2O4 — CID 126684381

IUPAC2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)CCC(=C)C(=O)NCOC
InChIInChI=1S/C14H24N2O4/c1-11(2)14(18)20-9-8-16(4)7-6-12(3)13(17)15-10-19-5/h1,3,6-10H2,2,4-5H3,(H,15,17)
InChIKeyKASLPVIABJMLPS-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.70
Rot. Bonds10

About 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate

2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate (PubChem CID 126684381) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate
PubChem CID126684381
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)CCC(=C)C(=O)NCOC
InChIInChI=1S/C14H24N2O4/c1-11(2)14(18)20-9-8-16(4)7-6-12(3)13(17)15-10-19-5/h1,3,6-10H2,2,4-5H3,(H,15,17)
InChIKeyKASLPVIABJMLPS-UHFFFAOYSA-N
XLogP0.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 163436746
2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 87914656
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-[2-[ethyl(methyl)amino]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 174995899
3-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]propane-1-sulfonic acid
CID 89470521
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-[methyl(octa-2,6-dienyl)amino]ethyl 2-methylprop-2-enoate
CID 123405363
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate (CID 126684381) is 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)CCC(=C)C(=O)NCOC.
What is the InChIKey of 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is KASLPVIABJMLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(2)14(18)20-9-8-16(4)7-6-12(3)13(17)15-10-19-5/h1,3,6-10H2,2,4-5H3,(H,15,17).
What are the key properties of 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate?
2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 284.36 g/mol, XLogP of 0.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethylcarbamoyl)but-3-enyl-methylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 126684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).