2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate

C13H23NO4 — CID 170223606

IUPAC2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCNC(=O)C(C)(C)CC
InChIInChI=1S/C13H23NO4/c1-5-11(15)18-10-9-17-8-7-14-12(16)13(3,4)6-2/h5H,1,6-10H2,2-4H3,(H,14,16)
InChIKeyDURLLFMYFXPFSM-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.28
Rot. Bonds9

About 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate

2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate (PubChem CID 170223606) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate
PubChem CID170223606
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCNC(=O)C(C)(C)CC
InChIInChI=1S/C13H23NO4/c1-5-11(15)18-10-9-17-8-7-14-12(16)13(3,4)6-2/h5H,1,6-10H2,2-4H3,(H,14,16)
InChIKeyDURLLFMYFXPFSM-UHFFFAOYSA-N
XLogP1.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.28
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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Related Compounds

[2-methyl-2-[2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]ethoxy]ethoxy]ethylcarbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 59460229
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
[2-[3-(2,2-dimethylbutanoylamino)propylcarbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 88566153
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 177062543
2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate;2-prop-2-enoyloxyethyl 2,2-dimethylbutanoate
CID 161211037
2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate
CID 176764617
3-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 23396729
2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate;2-[2-(2-hydroxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
CID 158223909
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate (CID 170223606) is 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCNC(=O)C(C)(C)CC.
What is the InChIKey of 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate?
The InChIKey is DURLLFMYFXPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-5-11(15)18-10-9-17-8-7-14-12(16)13(3,4)6-2/h5H,1,6-10H2,2-4H3,(H,14,16).
What are the key properties of 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate?
2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate has a molecular weight of 257.33 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 170223606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).