2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate

C15H29NO5 — CID 123257330

IUPAC2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate
SMILESCOCC(=O)NCCOCCOC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO5/c1-14(2,3)15(4,5)13(18)21-10-9-20-8-7-16-12(17)11-19-6/h7-11H2,1-6H3,(H,16,17)
InChIKeyRUCJKUATFKITGB-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.38
Rot. Bonds9

About 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate

2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate (PubChem CID 123257330) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Name2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate
PubChem CID123257330
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate
SMILESCOCC(=O)NCCOCCOC(=O)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO5/c1-14(2,3)15(4,5)13(18)21-10-9-20-8-7-16-12(17)11-19-6/h7-11H2,1-6H3,(H,16,17)
InChIKeyRUCJKUATFKITGB-UHFFFAOYSA-N
XLogP1.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155320272
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane
CID 178085327
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methoxyacetamide
CID 103939815
S-[2-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl] ethanethioate
CID 134395772
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
N-[2-[2-(5-acetamidopentoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155056819
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
N-[3-[3-(tert-butylamino)propoxy]propyl]-2-methoxyacetamide
CID 135296593

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate?
The IUPAC name of 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate (CID 123257330) is 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate?
The canonical SMILES for 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate is COCC(=O)NCCOCCOC(=O)C(C)(C)C(C)(C)C.
What is the InChIKey of 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate?
The InChIKey is RUCJKUATFKITGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-14(2,3)15(4,5)13(18)21-10-9-20-8-7-16-12(17)11-19-6/h7-11H2,1-6H3,(H,16,17).
What are the key properties of 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate?
2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate has a molecular weight of 303.40 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 123257330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).