[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate

C16H27NO6 — CID 20659271

IUPAC[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCC(=O)OCCN(CC)CC
InChIInChI=1S/C16H27NO6/c1-5-17(6-2)9-12-22-15(19)7-10-21-14(18)8-11-23-16(20)13(3)4/h3,5-12H2,1-2,4H3
InChIKeyIRQIALBJXLOVBK-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.31
Rot. Bonds12

About [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate

[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 20659271) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID20659271
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCC(=O)OCCN(CC)CC
InChIInChI=1S/C16H27NO6/c1-5-17(6-2)9-12-22-15(19)7-10-21-14(18)8-11-23-16(20)13(3)4/h3,5-12H2,1-2,4H3
InChIKeyIRQIALBJXLOVBK-UHFFFAOYSA-N
XLogP1.31
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
CID 88906932
2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate
CID 162214981
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
2-(2-methylprop-2-enoyloxy)ethyl 4-hydroxypent-4-enoate
CID 89274312
2-(diethylamino)ethyl pentanoate
CID 14795466
butyl 2-methylprop-2-enoate;2-(diethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate
CID 173140815
2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
CID 161409865
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-[[3-[3-[2-(diethylamino)ethoxy]-3-oxopropyl]sulfanyl-2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 59248469

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate (CID 20659271) is [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)OCCC(=O)OCCN(CC)CC.
What is the InChIKey of [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is IRQIALBJXLOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO6/c1-5-17(6-2)9-12-22-15(19)7-10-21-14(18)8-11-23-16(20)13(3)4/h3,5-12H2,1-2,4H3.
What are the key properties of [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 329.39 g/mol, XLogP of 1.31, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20659271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).