2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate

C11H17NO4 — CID 118583991

IUPAC2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)NCCOCCOC(=O)C(=C)C
InChIInChI=1S/C11H17NO4/c1-4-10(13)12-5-6-15-7-8-16-11(14)9(2)3/h4H,1-2,5-8H2,3H3,(H,12,13)
InChIKeyLNUGCELFMVCVIQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.42
Rot. Bonds8

About 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 118583991) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID118583991
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)NCCOCCOC(=O)C(=C)C
InChIInChI=1S/C11H17NO4/c1-4-10(13)12-5-6-15-7-8-16-11(14)9(2)3/h4H,1-2,5-8H2,3H3,(H,12,13)
InChIKeyLNUGCELFMVCVIQ-UHFFFAOYSA-N
XLogP0.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate (CID 118583991) is 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate is C=CC(=O)NCCOCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is LNUGCELFMVCVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-4-10(13)12-5-6-15-7-8-16-11(14)9(2)3/h4H,1-2,5-8H2,3H3,(H,12,13).
What are the key properties of 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 227.26 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(prop-2-enoylamino)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118583991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).