2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide

C12H24N2O2 — CID 116521319

IUPAC2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC1CCC(C)(C)O1
InChIInChI=1S/C12H24N2O2/c1-5-13-11(15)9(2)14-8-10-6-7-12(3,4)16-10/h9-10,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyBELLNLPICUJXJD-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide

2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide (PubChem CID 116521319) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
PubChem CID116521319
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC1CCC(C)(C)O1
InChIInChI=1S/C12H24N2O2/c1-5-13-11(15)9(2)14-8-10-6-7-12(3,4)16-10/h9-10,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyBELLNLPICUJXJD-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide (CID 116521319) is 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide?
The InChIKey is BELLNLPICUJXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-13-11(15)9(2)14-8-10-6-7-12(3,4)16-10/h9-10,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide?
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 116521319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).