(2-acetamido-1-ethoxyethyl) prop-2-enoate

C9H15NO4 — CID 153294025

IUPAC(2-acetamido-1-ethoxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(CNC(C)=O)OCC
InChIInChI=1S/C9H15NO4/c1-4-8(12)14-9(13-5-2)6-10-7(3)11/h4,9H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyKSZIKVAONBGYQE-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.21
Rot. Bonds6

About (2-acetamido-1-ethoxyethyl) prop-2-enoate

(2-acetamido-1-ethoxyethyl) prop-2-enoate (PubChem CID 153294025) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2-acetamido-1-ethoxyethyl) prop-2-enoate.

Molecular Properties

Compound Name(2-acetamido-1-ethoxyethyl) prop-2-enoate
PubChem CID153294025
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2-acetamido-1-ethoxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(CNC(C)=O)OCC
InChIInChI=1S/C9H15NO4/c1-4-8(12)14-9(13-5-2)6-10-7(3)11/h4,9H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyKSZIKVAONBGYQE-UHFFFAOYSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2-acetamido-1-ethoxyethyl) prop-2-enoate?
The IUPAC name of (2-acetamido-1-ethoxyethyl) prop-2-enoate (CID 153294025) is (2-acetamido-1-ethoxyethyl) prop-2-enoate.
What is the SMILES notation for (2-acetamido-1-ethoxyethyl) prop-2-enoate?
The canonical SMILES for (2-acetamido-1-ethoxyethyl) prop-2-enoate is C=CC(=O)OC(CNC(C)=O)OCC.
What is the InChIKey of (2-acetamido-1-ethoxyethyl) prop-2-enoate?
The InChIKey is KSZIKVAONBGYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-8(12)14-9(13-5-2)6-10-7(3)11/h4,9H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of (2-acetamido-1-ethoxyethyl) prop-2-enoate?
(2-acetamido-1-ethoxyethyl) prop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-1-ethoxyethyl) prop-2-enoate is sourced from PubChem (CID 153294025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).