2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

C15H27N3O5 — CID 20659285

IUPAC2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCC(=O)OCCN(CC)CC
InChIInChI=1S/C15H27N3O5/c1-5-18(6-2)8-10-22-13(19)11-17-15(21)16-7-9-23-14(20)12(3)4/h3,5-11H2,1-2,4H3,(H2,16,17,21)
InChIKeyPOUGEJJHZJGYGG-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.29
Rot. Bonds11

About 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 20659285) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID20659285
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Name2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCC(=O)OCCN(CC)CC
InChIInChI=1S/C15H27N3O5/c1-5-18(6-2)8-10-22-13(19)11-17-15(21)16-7-9-23-14(20)12(3)4/h3,5-11H2,1-2,4H3,(H2,16,17,21)
InChIKeyPOUGEJJHZJGYGG-UHFFFAOYSA-N
XLogP0.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 20659285) is 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCC(=O)OCCN(CC)CC.
What is the InChIKey of 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is POUGEJJHZJGYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-5-18(6-2)8-10-22-13(19)11-17-15(21)16-7-9-23-14(20)12(3)4/h3,5-11H2,1-2,4H3,(H2,16,17,21).
What are the key properties of 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 329.40 g/mol, XLogP of 0.29, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(diethylamino)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20659285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).