3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C17H32N2O2 — CID 64851559

IUPAC3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)COC1CC(NCCC(=O)N2CCCC2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-13(2)12-21-15-11-14(17(15,3)4)18-8-7-16(20)19-9-5-6-10-19/h13-15,18H,5-12H2,1-4H3
InChIKeyMNYZIWHMIYSMQO-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.43
Rot. Bonds7

About 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one

3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 64851559) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID64851559
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)COC1CC(NCCC(=O)N2CCCC2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-13(2)12-21-15-11-14(17(15,3)4)18-8-7-16(20)19-9-5-6-10-19/h13-15,18H,5-12H2,1-4H3
InChIKeyMNYZIWHMIYSMQO-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 64851559) is 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one is CC(C)COC1CC(NCCC(=O)N2CCCC2)C1(C)C.
What is the InChIKey of 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MNYZIWHMIYSMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(2)12-21-15-11-14(17(15,3)4)18-8-7-16(20)19-9-5-6-10-19/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 64851559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).