3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C15H28N2O2 — CID 64852482

IUPAC3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCOC1CC(NCCC(=O)N2CCCC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-4-19-13-11-12(15(13,2)3)16-8-7-14(18)17-9-5-6-10-17/h12-13,16H,4-11H2,1-3H3
InChIKeyAUDZKLRSMZMJKJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 64852482) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID64852482
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCOC1CC(NCCC(=O)N2CCCC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-4-19-13-11-12(15(13,2)3)16-8-7-14(18)17-9-5-6-10-17/h12-13,16H,4-11H2,1-3H3
InChIKeyAUDZKLRSMZMJKJ-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 64852482) is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCOC1CC(NCCC(=O)N2CCCC2)C1(C)C.
What is the InChIKey of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AUDZKLRSMZMJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-13-11-12(15(13,2)3)16-8-7-14(18)17-9-5-6-10-17/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 64852482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).