2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide

C36H73NO3 — CID 167132315

IUPAC2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)COC(C)(C)COCC
InChIInChI=1S/C36H73NO3/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-37(35(38)33-40-36(4,5)34-39-8-3)32-30-28-26-24-22-20-18-16-14-12-10-7-2/h6-34H2,1-5H3
InChIKeyJZXIOXBAFPTPRB-UHFFFAOYSA-N
MW567.98 g/mol
LogP11.05
Rot. Bonds32

About 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide

2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide (PubChem CID 167132315) has the molecular formula C36H73NO3 and a molecular weight of 567.98 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide
PubChem CID167132315
Molecular FormulaC36H73NO3
Molecular Weight567.98 g/mol
Exact Mass567.56
IUPAC Name2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)COC(C)(C)COCC
InChIInChI=1S/C36H73NO3/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-37(35(38)33-40-36(4,5)34-39-8-3)32-30-28-26-24-22-20-18-16-14-12-10-7-2/h6-34H2,1-5H3
InChIKeyJZXIOXBAFPTPRB-UHFFFAOYSA-N
XLogP11.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.98
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
CID 174303360
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide
CID 19774006
[2-(dioctadecylamino)-2-oxoethyl] 2-aminoacetate
CID 54404734
2-methoxy-N,N-dipentylacetamide
CID 60776145
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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
2-(dibutylphosphorylmethoxy)-N,N-dioctylacetamide
CID 102344381
N-(2-bromoethyl)-N-butyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603989
2-[2-(dimethylamino)ethoxy]-N,N-dipentylacetamide
CID 175987160

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide?
The IUPAC name of 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide (CID 167132315) is 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide?
The canonical SMILES for 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)COC(C)(C)COCC.
What is the InChIKey of 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide?
The InChIKey is JZXIOXBAFPTPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO3/c1-6-9-11-13-15-17-19-21-23-25-27-29-31-37(35(38)33-40-36(4,5)34-39-8-3)32-30-28-26-24-22-20-18-16-14-12-10-7-2/h6-34H2,1-5H3.
What are the key properties of 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide?
2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide has a molecular weight of 567.98 g/mol, XLogP of 11.05, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide is sourced from PubChem (CID 167132315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).