1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

C15H27F3N4O — CID 99856968

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESCN(CC1(N(C)C)CCC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C15H27F3N4O/c1-20(2)14(6-4-7-14)10-21(3)13(23)19-12-5-8-22(9-12)11-15(16,17)18/h12H,4-11H2,1-3H3,(H,19,23)/t12-/m1/s1
InChIKeyLLKOGLKPXCSODY-GFCCVEGCSA-N
MW336.40 g/mol
LogP1.75
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (PubChem CID 99856968) has the molecular formula C15H27F3N4O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
PubChem CID99856968
Molecular FormulaC15H27F3N4O
Molecular Weight336.40 g/mol
Exact Mass336.21
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESCN(CC1(N(C)C)CCC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C15H27F3N4O/c1-20(2)14(6-4-7-14)10-21(3)13(23)19-12-5-8-22(9-12)11-15(16,17)18/h12H,4-11H2,1-3H3,(H,19,23)/t12-/m1/s1
InChIKeyLLKOGLKPXCSODY-GFCCVEGCSA-N
XLogP1.75
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 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 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (CID 99856968) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is CN(CC1(N(C)C)CCC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The InChIKey is LLKOGLKPXCSODY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27F3N4O/c1-20(2)14(6-4-7-14)10-21(3)13(23)19-12-5-8-22(9-12)11-15(16,17)18/h12H,4-11H2,1-3H3,(H,19,23)/t12-/m1/s1.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea has a molecular weight of 336.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 99856968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).