lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide

C31H62LiN2O6+ — CID 19774006

IUPAClithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide
SMILESCCCCCCCN(CCOCC)C(=O)COCC(C)(C)COCC(=O)N(CCCCCCC)CCOCC.[Li+]
InChIInChI=1S/C31H62N2O6.Li/c1-7-11-13-15-17-19-32(21-23-36-9-3)29(34)25-38-27-31(5,6)28-39-26-30(35)33(22-24-37-10-4)20-18-16-14-12-8-2;/h7-28H2,1-6H3;/q;+1
InChIKeyAOTUOZVOIHNXPX-UHFFFAOYSA-N
MW565.79 g/mol
LogP2.72
Rot. Bonds28

About lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide

lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide (PubChem CID 19774006) has the molecular formula C31H62LiN2O6+ and a molecular weight of 565.79 g/mol. Its IUPAC name is lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide.

Molecular Properties

Compound Namelithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide
PubChem CID19774006
Molecular FormulaC31H62LiN2O6+
Molecular Weight565.79 g/mol
Exact Mass565.48
IUPAC Namelithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide
SMILESCCCCCCCN(CCOCC)C(=O)COCC(C)(C)COCC(=O)N(CCCCCCC)CCOCC.[Li+]
InChIInChI=1S/C31H62N2O6.Li/c1-7-11-13-15-17-19-32(21-23-36-9-3)29(34)25-38-27-31(5,6)28-39-26-30(35)33(22-24-37-10-4)20-18-16-14-12-8-2;/h7-28H2,1-6H3;/q;+1
InChIKeyAOTUOZVOIHNXPX-UHFFFAOYSA-N
XLogP2.72
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.79
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
CID 174303360
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
2-(1-ethoxy-2-methylpropan-2-yl)oxy-N,N-di(tetradecyl)acetamide
CID 167132315
2-[2-(dimethylamino)ethoxy]-N,N-dipentylacetamide
CID 175987160
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
2-[2-[ethyl(methyl)amino]ethoxy]-N,N-dihexylacetamide
CID 175987181
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
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
N,N-dibutyl-2-propoxyacetamide
CID 48656867

Frequently Asked Questions

What is the IUPAC name of lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide?
The IUPAC name of lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide (CID 19774006) is lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide.
What is the SMILES notation for lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide?
The canonical SMILES for lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide is CCCCCCCN(CCOCC)C(=O)COCC(C)(C)COCC(=O)N(CCCCCCC)CCOCC.[Li+].
What is the InChIKey of lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide?
The InChIKey is AOTUOZVOIHNXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2O6.Li/c1-7-11-13-15-17-19-32(21-23-36-9-3)29(34)25-38-27-31(5,6)28-39-26-30(35)33(22-24-37-10-4)20-18-16-14-12-8-2;/h7-28H2,1-6H3;/q;+1.
What are the key properties of lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide?
lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide has a molecular weight of 565.79 g/mol, XLogP of 2.72, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(2-ethoxyethyl)-2-[3-[2-[2-ethoxyethyl(heptyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-heptylacetamide is sourced from PubChem (CID 19774006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).