2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate

C21H41NO4 — CID 20759309

IUPAC2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate
SMILESCN(CCOC(=O)C(C)(C)C(C)(C)C)CCOC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C21H41NO4/c1-18(2,3)20(7,8)16(23)25-14-12-22(11)13-15-26-17(24)21(9,10)19(4,5)6/h12-15H2,1-11H3
InChIKeyHMZNCLPGRAFFRI-UHFFFAOYSA-N
MW371.56 g/mol
LogP4.15
Rot. Bonds8

About 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate

2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate (PubChem CID 20759309) has the molecular formula C21H41NO4 and a molecular weight of 371.56 g/mol. Its IUPAC name is 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Name2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate
PubChem CID20759309
Molecular FormulaC21H41NO4
Molecular Weight371.56 g/mol
Exact Mass371.30
IUPAC Name2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate
SMILESCN(CCOC(=O)C(C)(C)C(C)(C)C)CCOC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C21H41NO4/c1-18(2,3)20(7,8)16(23)25-14-12-22(11)13-15-26-17(24)21(9,10)19(4,5)6/h12-15H2,1-11H3
InChIKeyHMZNCLPGRAFFRI-UHFFFAOYSA-N
XLogP4.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate?
The IUPAC name of 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate (CID 20759309) is 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate?
The canonical SMILES for 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate is CN(CCOC(=O)C(C)(C)C(C)(C)C)CCOC(=O)C(C)(C)C(C)(C)C.
What is the InChIKey of 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate?
The InChIKey is HMZNCLPGRAFFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO4/c1-18(2,3)20(7,8)16(23)25-14-12-22(11)13-15-26-17(24)21(9,10)19(4,5)6/h12-15H2,1-11H3.
What are the key properties of 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate?
2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate has a molecular weight of 371.56 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 20759309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).