2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate

C12H23NO3 — CID 155335696

IUPAC2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate
SMILESCCCC(=O)N(C)CCOC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-6-7-10(14)13(5)8-9-16-11(15)12(2,3)4/h6-9H2,1-5H3
InChIKeyOBKUOERDTUDPMT-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.83
Rot. Bonds5

About 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate

2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate (PubChem CID 155335696) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate
PubChem CID155335696
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate
SMILESCCCC(=O)N(C)CCOC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-6-7-10(14)13(5)8-9-16-11(15)12(2,3)4/h6-9H2,1-5H3
InChIKeyOBKUOERDTUDPMT-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate (CID 155335696) is 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate is CCCC(=O)N(C)CCOC(=O)C(C)(C)C.
What is the InChIKey of 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate?
The InChIKey is OBKUOERDTUDPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-7-10(14)13(5)8-9-16-11(15)12(2,3)4/h6-9H2,1-5H3.
What are the key properties of 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate?
2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 155335696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).