2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate

C46H87NO6 — CID 102260637

IUPAC2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)COCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47(44(48)41-51-42-45(49)52-39-40-53-46(50)43(3)4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3,5-42H2,1-2,4H3
InChIKeyNVILRARDDKIKOZ-UHFFFAOYSA-N
MW750.20 g/mol
LogP13.02
Rot. Bonds42

About 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate

2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate (PubChem CID 102260637) has the molecular formula C46H87NO6 and a molecular weight of 750.20 g/mol. Its IUPAC name is 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate
PubChem CID102260637
Molecular FormulaC46H87NO6
Molecular Weight750.20 g/mol
Exact Mass749.65
IUPAC Name2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)COCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47(44(48)41-51-42-45(49)52-39-40-53-46(50)43(3)4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3,5-42H2,1-2,4H3
InChIKeyNVILRARDDKIKOZ-UHFFFAOYSA-N
XLogP13.02
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds42
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.20
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
2-ethoxy-N-hexadecyl-N-tetradecylacetamide
CID 170646131
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate (CID 102260637) is 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)COCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is NVILRARDDKIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H87NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47(44(48)41-51-42-45(49)52-39-40-53-46(50)43(3)4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3,5-42H2,1-2,4H3.
What are the key properties of 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate?
2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 750.20 g/mol, XLogP of 13.02, 42 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 102260637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).