2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C12H23N2O3+ — CID 59646137

IUPAC2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)CCNC(C)=O
InChIInChI=1S/C12H22N2O3/c1-10(2)12(16)17-9-8-14(4,5)7-6-13-11(3)15/h1,6-9H2,2-5H3/p+1
InChIKeySDISKJPLWTWKAH-UHFFFAOYSA-O
MW243.33 g/mol
LogP0.32
Rot. Bonds7

About 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 59646137) has the molecular formula C12H23N2O3+ and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Name2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID59646137
Molecular FormulaC12H23N2O3+
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC Name2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[N+](C)(C)CCNC(C)=O
InChIInChI=1S/C12H22N2O3/c1-10(2)12(16)17-9-8-14(4,5)7-6-13-11(3)15/h1,6-9H2,2-5H3/p+1
InChIKeySDISKJPLWTWKAH-UHFFFAOYSA-O
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-Propenoic acid, 2-methyl-, 2-(2-oxo-1-imidazolidinyl)ethyl ester
CID 643493
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium acetate
CID 73555277
n,o-Bismethacryloyl ethanolamine
CID 15312507
2-Methacryloyloxyethyl-dimethylammonium bromide
CID 15277944
2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612
2-(2-Aminoethylamino)ethyl 2-methylprop-2-enoate
CID 21549864
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-methylprop-2-enoate
CID 22403528
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 57789491
2-(3,3-Diethylureido)ethyl methacrylate
CID 71722587
2-(3-(tert-Butyl)-3-ethylureido)ethyl methacrylate
CID 72706022
Dimethylmethacryloyloxyethylammonium chloride
CID 76605683
Acrylamide diethylaminoethyl methacrylate
CID 86733858

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 59646137) is 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+](C)(C)CCNC(C)=O.
What is the InChIKey of 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is SDISKJPLWTWKAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N2O3/c1-10(2)12(16)17-9-8-14(4,5)7-6-13-11(3)15/h1,6-9H2,2-5H3/p+1.
What are the key properties of 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 243.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 59646137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).