3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one

C17H27N3O2 — CID 155306351

IUPAC3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCNCCNc2ccccn2)OC1=O
InChIInChI=1S/C17H27N3O2/c1-3-17(4-2)13-14(22-16(17)21)8-10-18-11-12-20-15-7-5-6-9-19-15/h5-7,9,14,18H,3-4,8,10-13H2,1-2H3,(H,19,20)
InChIKeyNFOCWIYEHVVUEI-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.60
Rot. Bonds9

About 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one

3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one (PubChem CID 155306351) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one
PubChem CID155306351
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one
SMILESCCC1(CC)CC(CCNCCNc2ccccn2)OC1=O
InChIInChI=1S/C17H27N3O2/c1-3-17(4-2)13-14(22-16(17)21)8-10-18-11-12-20-15-7-5-6-9-19-15/h5-7,9,14,18H,3-4,8,10-13H2,1-2H3,(H,19,20)
InChIKeyNFOCWIYEHVVUEI-UHFFFAOYSA-N
XLogP2.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one?
The IUPAC name of 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one (CID 155306351) is 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one.
What is the SMILES notation for 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one?
The canonical SMILES for 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one is CCC1(CC)CC(CCNCCNc2ccccn2)OC1=O.
What is the InChIKey of 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one?
The InChIKey is NFOCWIYEHVVUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-17(4-2)13-14(22-16(17)21)8-10-18-11-12-20-15-7-5-6-9-19-15/h5-7,9,14,18H,3-4,8,10-13H2,1-2H3,(H,19,20).
What are the key properties of 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one?
3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one has a molecular weight of 305.42 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-[2-[2-(pyridin-2-ylamino)ethylamino]ethyl]oxolan-2-one is sourced from PubChem (CID 155306351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).