[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate

C14H27NO3 — CID 159685378

IUPAC[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate
SMILESCC(C)(C)CCC(=O)OCC(=O)NCC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-13(2,3)8-7-12(17)18-9-11(16)15-10-14(4,5)6/h7-10H2,1-6H3,(H,15,16)
InChIKeyUZFFATGLSYEUHZ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.52
Rot. Bonds5

About [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate

[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate (PubChem CID 159685378) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate.

Molecular Properties

Compound Name[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate
PubChem CID159685378
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate
SMILESCC(C)(C)CCC(=O)OCC(=O)NCC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-13(2,3)8-7-12(17)18-9-11(16)15-10-14(4,5)6/h7-10H2,1-6H3,(H,15,16)
InChIKeyUZFFATGLSYEUHZ-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(2-methylpropan-2-yl)oxymethyl] butanedioate;bis([2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate);bis([2-[2,2-dimethylpropyl(methyl)amino]-2-oxoethyl] 4,4-dimethylpentanoate);bis(1-O-(2,2-dimethylpropyl) 4-O-[(2-methylpropan-2-yl)oxymethyl] butanedioate)
CID 159685377
N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide
CID 166997753
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2-(2,2-dimethylpropanoyloxy)ethyl 4,4-dimethylpentanoate
CID 177089265
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
2,2,2-trichloroethyl 4,4-dimethylpentanoate
CID 58459608
methyl acetate;methyl 4,4-dimethylpentanoate
CID 160958689
N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
CID 115271206
N-tert-butyl-4,4-dimethylpentanamide;1-tert-butyl-3-(2,2-dimethylpropyl)urea;N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 161032007
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
acetyl 4,4-dimethylpentanoate
CID 141030894
octadecyl 4,4-dimethylpentanoate
CID 174604601

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate?
The IUPAC name of [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate (CID 159685378) is [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate.
What is the SMILES notation for [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate?
The canonical SMILES for [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate is CC(C)(C)CCC(=O)OCC(=O)NCC(C)(C)C.
What is the InChIKey of [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate?
The InChIKey is UZFFATGLSYEUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,3)8-7-12(17)18-9-11(16)15-10-14(4,5)6/h7-10H2,1-6H3,(H,15,16).
What are the key properties of [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate?
[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate has a molecular weight of 257.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate is sourced from PubChem (CID 159685378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).