(2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate

C12H17NO5 — CID 87427721

IUPAC(2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)NC(C)=O
InChIInChI=1S/C12H17NO5/c1-5-10(15)17-7-12(4,13-9(3)14)8-18-11(16)6-2/h5-6H,1-2,7-8H2,3-4H3,(H,13,14)
InChIKeyIZIRLMYCXPDRFZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.34
Rot. Bonds7

About (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate

(2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate (PubChem CID 87427721) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate.

Molecular Properties

Compound Name(2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate
PubChem CID87427721
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name(2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(COC(=O)C=C)NC(C)=O
InChIInChI=1S/C12H17NO5/c1-5-10(15)17-7-12(4,13-9(3)14)8-18-11(16)6-2/h5-6H,1-2,7-8H2,3-4H3,(H,13,14)
InChIKeyIZIRLMYCXPDRFZ-UHFFFAOYSA-N
XLogP0.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid
CID 88203744
N-tert-butylprop-2-enamide;ethyl prop-2-enoate
CID 146290784
[2-Methyl-3-prop-2-enoyloxy-2-(2,2,3-trifluoropropoxycarbonylamino)propyl] prop-2-enoate
CID 89831907
[2-(Fluoromethoxycarbonylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 89831934
[2-Methyl-3-prop-2-enoyloxy-2-(2,2,3,3-tetrafluoropropoxycarbonylamino)propyl] prop-2-enoate
CID 89834098
[2-(2,2-Difluoroethoxycarbonylamino)-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 89834144
[2-[2-(Fluoromethoxy)ethoxycarbonylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 159326132
[3,3,3-Trifluoro-2-(methoxycarbonylamino)-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 176632128
potassium;N-tert-butylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoate
CID 44147810
(2-Acetamido-2-methylpropyl) 2-methylprop-2-enoate
CID 18544200
[2-Methyl-2-(3-oxobutanoylamino)propyl] prop-2-enoate
CID 20789161
Prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033780

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate?
The IUPAC name of (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate (CID 87427721) is (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate.
What is the SMILES notation for (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate?
The canonical SMILES for (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate is C=CC(=O)OCC(C)(COC(=O)C=C)NC(C)=O.
What is the InChIKey of (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate?
The InChIKey is IZIRLMYCXPDRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-5-10(15)17-7-12(4,13-9(3)14)8-18-11(16)6-2/h5-6H,1-2,7-8H2,3-4H3,(H,13,14).
What are the key properties of (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate?
(2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate has a molecular weight of 255.27 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate is sourced from PubChem (CID 87427721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).